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  1. MIT - Massachusetts Institute of Technology Hacked By Ag3nt47 www.twitter.com/ag3nt47 I love my sexy Irish queen truthizsexy. <3
  2.  
  3. . .............................,+DMDZ8Z8DNMMMMD~................................
  4. . . .......................:DMMMMMMMMMMMMMMMMM8OON,.............................
  5. . . .....................~MMMMMMMMMMMMMMMMMMMMMMMM8MM=..........................
  6. . . .................... MMMMMMMMMMMMMMMMMMMMMMMNODMMMM.........................
  7. . . ...................7MMMMMMMMMMMMMMMMMMMMMMMMM$8MMMMM........................
  8. . . .................:MMMMMMMMMOMMMMMMMMMMMMMMMMM$MMNNMMM.......................
  9. . . ................7MMMMMMMD$M$ZDMMDMMMMMMM8MMZDZMMZ$MMMMM ....................
  10. . . ...............~MMMMMMMZ$$$7=I$Z$+II$$$$$$$$ZZOM$OD$$MMM....................
  11. ...................~MMMMMN$?~~~~~~~~~~~~~=~~:~~~~=7$$Z$$OMMM8...................
  12. ...................+MMMMZ=~~~~~~~~~~~~~~~~~~~~~~~::~~+$$NMMMM...................
  13. . .................MMMM$???+~~~~~~~~~~~~~~~~~~~~~~, ...:7$MMM...................
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  15. ..................:MMM$??=~~~~~~~~~~~~~~~~~~~~~~~~:... . :~~MM.. .. . .... . .
  16. ..................?MMO???~~~~~~~~~~~~~~~~~~~~~~~~~~. .....~~7M~. .. . .... . .
  17. ..................MMD$$7????+~~~~~~~~~~~~~~~~~~====+=+?:. ~+?MD ................
  18. ................. MMD$$$?????+=~~~~~~~~~~~~~~~~~~~~=?++...:~~NM. ......... .....
  19. .................+MMM$$$$+~~~~~~~~~~~~~~~~~~~~~~~~~=I8.,:..+~MM.................
  20. .................=MM8$$$~+?$ZNNND$=+$~~~~~~~~~+??OMMMMMO...~~NM ................
  21. ................. MM7?7+:+ZDNNMMMMMMM????????$MMMMMDD88N8 :8MM. ......... .....
  22. ..................7MZM=~MN,..... =ZMMZ??????Z8IMMMMMMMMMMN+,IM+.................
  23. ..................,N$MMMO$$$$$$$$$$$ZMMMNMMNM8=+77$$?$$INMDNMM:.................
  24. ............... INMZMMNM$$$I.ZM+=.$~$NMMMMMMD$$$:$D+= 7+.MMMNND ......... .....
  25. ...............Z? .M?.=M$$$~..I+...:~DMO~~DMZ?$I..=:.:~?:OMMNM+.$...............
  26. .............. OMMO.~. MZI... .... :,MN~~~~M8=... ..:~,.~OM.8N?ZM=. . .... . .
  27. ...............$+D7M= .,M~. .....:~ OM~=~~=MN,. . .... ..M7 O$??M=. . .... . .
  28. ...............7,DNMZ?..~N...... .?M~+?~~~?M,..........ON..NM??M...............
  29. ...............?.N.M=?=. +DN:...,OMD~??~~~~??M~........DN...MMIOM ..............
  30. ................$.8+~??~..=??????+,,???~~~~~?=+8NN78MMM$??.+MMIM................
  31. ................ $:.:???.... .. ..+???~~~~~~8~. .?????=?~.?~7M,................
  32. ..................N..???? .........?ZZ?=~~??=N~........+?.=??,D ................
  33. ................. .N$????=......... NI7M??N$NO ......~?= ?8,Z?.................
  34. ....................~?????.........~~~~~~++~~,.,..... ??..?MM,..................
  35. .................... N????? ....~~~~~~:,??=~~~~~.....,??.=?O....................
  36. .....................,I????+..~~~~~~~. .=. ??=~~~~:. :??.?$.....................
  37. ......................O??????~~~~=~:,+O~..O+,?8?~~~. ~??.?O.....................
  38. .......................N????~?+?$:O+?~=NMMMMMMNO+~...?????8.....................
  39. ..................... .:Z????~~~~,~7~~,..~~~~7~~~..:=??IZ?? ....................
  40. ..................... ..ZI???+~~~~~~=OMMMMMD~~~~~~~~??8D?7......................
  41. .........................D????~~~~~::... .,~~~~~~+?$$M+D .....................
  42. ..................... ...OMI??~~:...... ........,~~?77M7~~......................
  43. .........................$IMD?+~~~~,........,~~~~7?NIMM8M.......................
  44. .........................:O?MM$+~~~~~~:,:~~~~~~?DNM7MM$=I.......................
  45. ..................... ....???MMMNI?+=~~~~~=??+$MMDMMMMND........................
  46. ...........................N??MMMMMMMMMMMMMMMMMMMMMMMN,=........................
  47. ............................O??MMNMMMMMMMMMMMMMMMMMMD.D ........................
  48. ..................... .......8??MMIMMMMMMMMMMMMMMMM,..I.........................
  49. ............................. 8??NM=~~==???OMMMMM?.. I .........................
  50. ...............................D+?NN=~~~=??MMMMN ., .~..........................
  51. ..................... ..........,Z?DM$++$MMMMMIZ,...Z...........................
  52. ..................................,DDMMMMM8?....................................
  53. ..................... .................... .....................................
  54. changed,data_bin,data_txt,description,downloads,expires,filename,filesize,filetype,group,id
  55. 2012-11-12 12:15:43,,"\nDear All,\n \nEnclosed are the Travel Guidelines I sent out last summer. I ask that you\nplease review them again, particularly if you are planning a trip in the\nnear future (e.g. APS). \n \nIf you have any travel backup from recent trips, please submit them to me\nASAP. It is important that I receive these immediately following each of\nyour trips, particularly in the case where travel advances need to be\nreconciled. I ask that you please take responsibility for this. \n \nTo the Travel Guidelines, please note the following regarding Travel\nAdvances:\n \nAirfare\nCan provide, if book through our travel agent, Travel Collaborative (see\nbelow).\n \nHotel\nIf the hotel permits it, we can mail them a check issued for the total\namount due.\nYou will need to ask them if you prefer this to charging your credit card.\n \nMeals & Incidentals\nUp to $50/day can be obtained within 2 weeks of your departure\n \nConference Registration\nIf organizers permit it, we can have an advance check issued.\n \nThank you for your cooperation!\n \n~ Kathy\n",Travel guidelines from March 2007,45,0000-00-00,travel guidelines.doc,41984,application/msword,,23
  56. 2012-08-20 14:04:56,"%PDF-1.3\n%Детел\xa7у\xa0РДЖ\n2 0 obj\n<< /Length 4 0 R /Filter /FlateDecode >>\nstream\nxΪΝ\x9dKw\x1bΙ\x91\x85χω+\xb0l\x9f#Γ\x19ωNο\xdc\xed\xee3}ěĹ<t\xcelźĄH˝F\x0fĘ$%\x99˙~@\x10\x95YČ\xa8\x0f\x04E\x8a\x96g\xe1iW\x03,TefD\xdc{ăĆ?W�\xb5ϊη�\xaeΚ:ekcρ\xab�σΪYkeU\\Y;_k]]Ό\\ύοκγκOΏ\\Κκτre\xb7�wyΊω\xa4\xbd\xfd76˙1Ű˙ľ\xfdă*Űu\x95\xcd˙SV9ŚľŰ|ť[\x9d~X\xfd\xfc|\x95Ň\xf6\xf3ť˙zţaő\xa7\xdfdmW˛zţjї╙ъ\x0fлч\xa0g~}╛╣пяvgaЭУ╜╣Я{▌┘\x7flям\xa0+!▐■;?╜╜╣0√lТ▌Е╒p!з▌\x85_\x87Ż\x12ńť+_\x86\x8fH\x08ť+/\xc7+Ů\xedŽ\\\xfc\xc1ě_Š\xd3\r\\\x0f\x9fqn\xfa;/\xceĎ\x86kŢ\xddţfŁ>ĺă\xf4\x97\x9e\x8dWR\x81\x9fę\xcbć\xe9\x98~ĺĄ/\xd4Ě_čjxĄ\x92e\xf7\xe9ă^\xa8\x99-ľ\x87\xdd\x99\x19\x96\xda\x8a7\x81/\x07ďĚ\xa8Mđ\xad"," Hi Everybody, \n \nAs our groups grow, more and more of you are traveling to conferences \nand in some cases making your own travel arrangements. I want to review \n with you guidelines that need to be followed to avoid questions in planning, \nand delays in reimbursing your travel. \n \nBefore you go: \n \nAs soon as you know you will be traveling, make your airline reservations. \nThis will ensure you the best availability and, in most cases, the best \nprices. \n \nFederal grants guarantee only the following as refundable: \nFor Domestic Air travel, only the lowest available Coach or Economy \nfare. For Foreign Air travel, only American flag carrier airlines point to \npoint (for clarification on this issue and Code Sharing, please refer to the \ntravel page for Code Sharing). Please book Economy or Coach, lowest \navailable fare. If for some reason you can only fly Business, let me know - \nthere are some, though very few, exceptions. \n \nThe best method for booking your flights would be to: Look online \nand email me the itinerary. I will see if our agent, Travel Collaborative, can \nfirst match the price and, second, confirm if it is legal in terms of Federal \nRegulations (there are some exceptions to the rules above - Travel \nCollaborative knows them) \n \nIf after we confirm a satisfactory and valid ticket, and you: \nBook the ticket yourself, I will reimburse you after you return. Book with \nTravel Collaborative, I will charge the ticket directly to one of our \naccounts \n \nDuring your trip: Keep ALL your receipts, especially you airline boarding \npass (your boarding pass I need in order to prove that you got on the \nplane). Keep ALL taxi, bus, train, hotel, and registration receipts. For \nmeals, in particular, I can either reimburse you from your receipts or pay \nyou an estimate of your daily expenses. \n \n\n\x0c\nFinally: Please draft a summary of your expenses using the travel \nreimbursement form available at: http://controllers.mit.edu/site/travel/forms. \nI will likely make changes to this, so save and send me your electronic copy \n(unless you complete by hand) Include with your travel \nreimbursement/voucher form, copies of your receipts Please submit \neverything in a timely manner (preferably within a week of your return) If \nyou have any questions, please let me know. Thanks! Kathy \n\n\x0c\n",Travel guidelines from August 2006,25,0000-00-00,Travel guidelines.pdf,70661,application/pdf,,25
  57. 2013-04-19 17:55:10,,"\nRotation Jobs\n Group meeting snacks\n Buying snacks and beverages for group meetings (expenses will be\nreimbursed). Roughly once a week during the semester.\n Social events\n Organizing group celebrations / cards & gifts for holidays, farewells,\nthesis defenses, weddings and births. Roughly once a month or two.\n Computing time proposals\n Writing proposals for external computing time (e.g. Teragrid). Roughly\nonce or twice a year.\n Purchasing and setting up major clusters\n Dealing with vendors, testing, bargaining, buying and setting up new\ncomputer clusters. Roughly once every several years.\n Major Jobs\nComputer\n System administration TheCount: Geoffroy Pourbaix: Ruoshi\n Anode: Sangtae\n OT3: ShinYoung Mendeleev: Ruoshi\n Cathode: Rickard\n Creating new accounts, setting quotas, maintaining operating systems,\nmanaging security issues, backing up\n Compilers, software, vaspmaster Robert\n Compiling needed software on production machines, benchmarking new\nmachines, providing assistance with VASP, fixing software problems\n Gridengine (queues) Rahul\n Configuring and maintaining queue systems, fixing problems\n Webpage Aziz\n Maintaining internal and external group websites\n Hotpage, temperature Issues Wenhao\n Responding to issues about cluster room temperature, manage group\nhotpage\n Hardware Repair Lusann\n Arranging for fixing of broken computing nodes\n Backups Predrag\n Install and monitoring backup on clusters\n Database Anubhav\n Maintaining and helping users with database\n Zappa/Yappa Shyue Ping/Jinhyuk\n Setting up and maintaining file server\nAdministrative\n Purchases Xiaohua\n Purchasing office and lab supplies\n Lab Managers Byoungwoo, Hailong\n Managing experimental lab equipment and chemicals\n Lab EHS representative Jae Chul\n Establish lab standard operating procedure, provide safety training,\nconduct Level 1 weekly inspection\n Group Managers\n Charles Scheduling group meetings, updating group calendar, arranging\n reimbursements\n Anubhav Organizing group events and outings Ruoshi In charge of\n group jobs\n Shyue Ping Giving orientation to new members, arranging visitor\n schedules, office spaces and computers\n Minor Jobs\nComputer\n External computing allocations Predrag\n Creating accounts for new users at Teragrid and other external\ncomputing facilities, coordinating allocations\n IP Addresses Lusann\n Applying for new addresses, maintaining list of IP's, dealing with\nproblems\n Software licenses Lusann\n Keeping a list of software licenses and CDs/manuals\n Geatland coordinator Ruoshi\n Coordinate cluster rooms 4-033 and 4-031 with other groups, manage\ngeatland mailing list\nAdministrative\n Mail Nancy\n Bringing mail from 3rd floor mailroom roughly once a week and\ndistributing into containers behind 5051 door\n 13-5056 Support Bryn\n Assisting with technical computer issues for Gerd and Kathy\n Athena email lists Jinhyuk\n Maintaining group email lists\nEquipment\n Video conferencing equipment Charles\n Maintaining and operating video conferencing equipment in 5051\n Old Equipment Xiaohua\n Disposing of old equipment\n Printers Robert\n Installing new printers, fixing problems, assisting users\n Group laptop Xiaohua\n Maintaining group laptop, fixing problems\n Cleaning Nancy\n Cleaning group microwave and coffee pot regularly\n\n\n Updated 1/13/2011\n",Group jobs January 2011,121,0000-00-00,GroupJobsJan11.doc,100352,application/msword,,26
  58. 2013-04-25 13:36:21,,"\n Ceder Group\n Home Addresses\n\nCeder, Gerd\ngceder@mit.edu\n(C) 781-492-4492\n\nAbdellahi, Aziz\naziz_a@mit.edu\naziz.abdellahi@gmail.com\n349 Columbia St, Apt 2\nCambridge, MA 02141\n(C) 617-792-9246\n\nChen, Hailong\nhlchen@mit.edu\nhailong.chen@gmail.com\n45 Concord Ave., #21\nSomerville, MA 02143\n(C) 631-903-0088\n\nDacek, Stephen\nstephen@syberion.com or sdacek@mit.edu (Both forward to the same address)\n235 Albany Street\nAshdown House, Room 1037\nCambridge, MA 02139\n(C) 516-242-1576\n\nJayaraman, Sai\njayaraman.sai@gmail.com\nsjayaram@mit.edu\n21 Brookline St., Apt. #302\nCambridge, MA 02139\n(C) 574-329-1920\n\nKang, Shin Young\nsykang@mit.edu\nfcrhkdans@gmail.com\n70 Pacific St., Apt. #497B\nCambridge, MA 02139\n(C) 617-997-3529\n\n\n\nKim, Jae Chul\njaek@mit.edu\njaek79@gmail.com\n60 Wadsworth ST APT 17C\nCambridge MA 02142\n(C) 617-455-7649\n\nLee, Jinhyuk\nJinhyuk@mit.edu\n70 Pacific St., 542A\nCambridge, MA 02139\n(C) 617 840 8021\n\nLei, Yuechuan\nLei_yc@mit.edu\nleiyuechuan@gmail.com\n70 Pacific St., Apt 662A\nCambridge, MA 02139\n(C) 617-775-9703\n\nLiu, Lei\nleiliu01@mit.edu\nbatterygg@gmail.com\n27 Jefferson St., Apt. #4\nCambridge, MA 02141\n(C) 857-234-0206\n\nLi, Xin\nlixin@mit.edu\n33 Pond Ave., Apt 810\nBrookline, MA 02445\n(C) 814-321-5786\n\nMa, Xiaohua\nxhma05@gmail.com\nxhma@mit.edu\n60 Pleasant St., Apt 406\nArlington, MA 02476\n(C) 617-407-0941\n\nMalik, Rahul\nrmalik@mit.edu\n70 Pacific Street\nRoom 830\nCambridge, MA 02139\n(C) 607-342-0081\n\nMatts, Ian\nianmatts@mit.edu\nian.l.matts@gmail.com\n407 Memorial Dr.\nCambridge, MA 02139\n(C) 845-797-2415\n\nMo, Yifei\nYfmo@mit.edu\n976 Lexington St.\nWaltham, MA 02451\n (C) 617-949-0607\n\nMoore, Charles\nc_moore@mit.edu\n70 Pacific St. APT 493B\nCambridge Ma, 02139\n (C) 937-573-7404\n\nOng, Shyue Ping\nshyue@mit.edu\n60 Wadsworth St, Apt 21H\nCambridge MA 02142\n(C) 617-602-0248\n\nRichards, Will\nwrichard@mit.edu\n15 Pleasant Place\nCambridge, MA 02139\n(C) 415-828-4994\n\nRong, Ziqin\nrongzq08@mit.edu\n235 Albany St, Apt 5101B\nCambridge, MA 02139\n(C) 617-909-7556\nSimons, Kathy\nkesimons@mit.edu\nKathryn.simons@yahoo.com\n19 Hudson St., #2\nSomerville, MA 02143\n (C) 617-913-3787\n\nSun, Ruoshi\nruoshi@mit.edu\nruoshi@gmail.com\n7 Arlington St., #54\nCambridge, MA 02140\n(C) 617-599-7992\n\nSun, Wenhao\nwenhaosun@gmail.com\nWenhao@mit.edu\n450 Memorial Drive, W61-D221\nCambridge MA 02139\n (C) 425-443-0325\n\nToumar, Alexandra\nalextoumar@gmail.com, ajtoumar@mit.edu\n121 Inman St., #2\nCambridge, MA 02139\n(C) 617-233-0942\n\nTwu, Nancy\nntwu@mit.edu\nnancytwu@gmail.com\n361 Washington St., Apt 3R\nCambridge, MA 02139\n(C) 732-850-1014\n\nUrban, Alex\nalexurba@mit.edu\nalexu@freenet.de\n247 Pearl Street, Apt. #404\nSomerville, MA 02145\n(C) 857-417-2133\n(H) 617-718-1635\n\nVassilaras, Plousia\npev@mit.edu\npvassilaras@gmail.com\n9 Chester St, Apt 4\nCambridge MA 02140\n(C) 216-856-0726\n\nWu, Di\nwudi@mit.edu\nRoom 3002B\n235 Albany St.\nCambridge, MA 02139\n(C) 617-800-6121\n\nWu, Robert (Yabi)\nwuyabi@mit.edu\n60 Wadsworth Street, Apt. 12D\nCambridge, MA 02142\n(C) 617-955-6487\n\nXu, Bo\nboxu14@mit.edu\nbonniexuoffd@gmail.com\n1110 Commonwealth Ave, Apt 317\nBoston, MA 02215\n(C) 858-23-20768\n\nYang, Lusann\nlusann@mit.edu\nlusann@gmail.com\n30 Highland Road\nSomerville, MA 02144\n(C) 609-658-2856\n\nZhu, Hong\nhongzhu@mit.edu zhuhong1984sh@yahoo.com\n66 Homer Ave., Apt 304\nCambridge, MA 02138\n(C) 860-455-5163\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n 1/9/2013\n\n",Ceder group home addresses,5,NULL,Ceder_Group_home_cell_email_contacts.doc,53760,application/msword,,27
  59.  
  60. active,description,id
  61. 1,boss,1
  62. 1,research associates,2
  63. 1,post-docs,3
  64. 1,graduate students,4
  65. 1,visiting scholars and students,5
  66. 0,Postdocs & Scientists,6
  67. 1,undergraduate students,7
  68. 1,administration,8
  69. 0,Gaduate and visiting students,9
  70.  
  71. abstract,author1,author2,author3,author4,author5,author6,author7,author8,author9,endpage,filename,formattitle,id,issue,journal,keywords,nauthors,startpage,title,vol,year
  72. NULL,G. Ceder,M. De Graef,L. Delaey,J. Kulik,D. de Fontaine,NULL,NULL,NULL,NULL,385,http://burgaz.mit.edu/PUBLICATIONS/PDF/PRB-39-381-1989.pdf,Gorsky-Bragg-Williams approach to the study of long-period superlattice phases in binary alloys,1,1,Physical Review B,NULL,5,381,Gorsky-Bragg-Williams approach to the study of long-period superlattice phases in binary alloys,39,1989
  73. NULL,D. de Fontaine,M. E. Mann,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,1303,http://burgaz.mit.edu/PUBLICATIONS/PDF/PRL-63-1300-1989.pdf,States of partial order in YBa<sub>2</sub>Cu<sub>3</sub>O<sub>z</sub>,2,12,Physical Review Letters,NULL,3,1300,States of partial order in YBa2Cu3Oz,63,1989
  74. NULL,C. P. Burmester,M. E. Mann,G. Ceder,L. T. Wille,D. de Fontaine,NULL,NULL,NULL,NULL,226,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 23.pdf,Monte carlo simulation of oxygen ordering in YBa<sub>2</sub>Cu<sub>3</sub>O<sub>z</sub>,3,NULL,Physica C,NULL,5,225,Monte carlo simulation of oxygen ordering in YBa2Cu3Oz,162-164,1989
  75. NULL,D. de Fontaine,G. Ceder,M. Asta,NULL,NULL,NULL,NULL,NULL,NULL,546,http://burgaz.mit.edu/PUBLICATIONS/PDF/Nature-343-544-1990.pdf,Low-temperature long-range oxgyen order in YBa<sub>2</sub>Co<sub>3</sub>O<sub>z</sub>,4,NULL,Nature,NULL,3,544,Low-temperature long-range oxgyen order in YBa2Co3Oz,343,1990
  76. NULL,G. Ceder,M. Asta,W. C. Carter,M. Kraitchman,D. de Fontaine,M. E. Mann,M. Sluiter,NULL,NULL,8701,http://burgaz.mit.edu/PUBLICATIONS/PDF/PRB-41-8698-1990.pdf,Phase diagram and low-temperature behavior of oxygen ordering in YBa<sub>2</sub>Cu<sub>3</sub>O<sub>z</sub> using ab initio interactions,5,13,Physical Review B,NULL,7,8698,Phase diagram and low-temperature behavior of oxygen ordering in YBa2Cu3Oz using ab initio interactions,41,1990
  77. NULL,G. Ceder,D. de Fontaine,H. Dreysse,D. M. Nicholson,G. M. Stocks,B. L. Gyorffy,NULL,NULL,NULL,2308,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 26.pdf,Ab Initio study of the Cu-Pd one-dimensional long period superstructure phase diagram,6,11,Acta Metall. Mater.,NULL,6,2299,Ab Initio study of the Cu-Pd one-dimensional long period superstructure phase diagram,38,1990
  78. NULL,G. Ceder,M. Asta,D. de Fontaine,NULL,NULL,NULL,NULL,NULL,NULL,194,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 24.pdf,Oxygen Ordering in YBa<sub>2</sub>Cu<sub>3</sub>O<sub>z</sub> at low temperature,7,NULL,Mat. Res. Soc. Symp. Proc,NULL,3,189,Oxygen Ordering in YBa2Cu3Oz at low temperature,169,1990
  79. NULL,H. Dreysse,G. Ceder,D. de Fontaine,L. T. Wille,NULL,NULL,NULL,NULL,NULL,448,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 25.pdf,Determination of effective pair interactions and segregation behavior at alloy surfaces,8,1-3,Vacuum,NULL,4,446,Determination of effective pair interactions and segregation behavior at alloy surfaces,41,1990
  80. NULL,G. Ceder,D. de Fontaine,H. Dreysse,D. M. Nicholson,G. M. Stocks,B. L. Gyorffy,NULL,NULL,NULL,2308,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 26. pdf,Ab Initio study of the Cu-Pd one-dimensional long period superstructure phase diagram,9,11,Acta Metall. Mater.,NULL,6,2299,Ab Initio study of the Cu-Pd one-dimensional long period superstructure phase diagram,38,1990
  81. NULL,D. de Fontaine,G. Ceder,M. Asta,NULL,NULL,NULL,NULL,NULL,NULL,123,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 28.pdf,Thermodynamics of oxygen ordering in YBa<sub>2</sub>Cu<sub>3</sub>O<sub>z</sub>,10,NULL,Journal of the Less-Common Metals,NULL,3,108,Thermodynamics of oxygen ordering in YBa2Cu3Oz,164&165,1990
  82. NULL,H. Dreysse,L. T. Wille,G. Ceder,C. Wolverton,D. de Fontaine,NULL,NULL,NULL,NULL,X,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 29.pdf,The electronic structure of disordered alloys with or without surface,11,NULL,Proceedings of the 20th Annual International Symposium on the Electronics Structure of Solids,NULL,5,X,The electronic structure of disordered alloys with or without surface,X,1990
  83. NULL,P. Huang,E. S. K. Menon,G. Ceder,D. de Fontaine,NULL,NULL,NULL,NULL,NULL,167,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 35.pdf,Effect of oxygen on the stability of 1-D LPS in Cu<sub>3</sub>Pd,12,NULL,Proceedings of the XIIth International Congress for Electron Microscopy,NULL,4,166,Effect of oxygen on the stability of 1-D LPS in Cu3Pd,X,1990
  84. NULL,G. Ceder,R. McCormack,D. de Fontaine,NULL,NULL,NULL,NULL,NULL,NULL,2380,http://burgaz.mit.edu/PUBLICATIONS/PDF/PRB-44-2377-1991.pdf,Time-dependent oxygen ordering and its effect on T<sub>c</sub> in off-stoichiometric YBa<sub>2</sub>Cu<sub>3</sub>O<sub>z</sub>,13,5,Physical Review B,NULL,3,2377,Time-dependent oxygen ordering and its effect on Tc in off-stoichiometric YBa2Cu3Oz,44,1991
  85. NULL,M. Asta,G. Ceder,D. de Fontaine,NULL,NULL,NULL,NULL,NULL,NULL,1798,http://burgaz.mit.edu/PUBLICATIONS/PDF/PRL-66-1798-1991.pdf,Commen on Nucleated and continuous ordering in Cu<sub>3</sub>Au ,14,13,Phsycial Review Letters,NULL,3,1798,Commen on Nucleated and continuous ordering in Cu3Au ,66,1991
  86. NULL,M. Asta,D. de Fontaine,G. Ceder,E. Salomons,M. Kraitchman,NULL,NULL,NULL,NULL,51,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 27.pdf,One- and two- dimensional oxygen ordering in YBa<sub>2</sub>Cu<sub>3</sub>O<sub>z</sub>,15,NULL,Journal of the Less-Common Metals,NULL,5,39,One- and two- dimensional oxygen ordering in YBa2Cu3Oz,168,1991
  87. NULL,P. Huang,G. Ceder,E. S. K. Menon,D. de Fontaine,NULL,NULL,NULL,NULL,NULL,1500,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 30.pdf,Effect of oxygen on the stability of one dimensional long period superstructures in Cu<sub>3</sub>Pd,16,NULL,Scripta Metallurgica et Materialia,NULL,4,1495,Effect of oxygen on the stability of one dimensional long period superstructures in Cu3Pd,25,1991
  88. NULL,G. Ceder,P. Huang,S. Menon,D. de Fontaine,D. M. Nicholson,G. M. Stocks,B. L. Gyorffy,NULL,NULL,70,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 31.pdf,Ab Initio calculation of the Cu-Pd one-dimensional long period superstructure phase diagram,17,NULL,Mat. Res. Soc. Symp. Proceedings,NULL,7,65,Ab Initio calculation of the Cu-Pd one-dimensional long period superstructure phase diagram,186,1991
  89. NULL,G. Ceder,M. Asta,D. de Fontaine,NULL,NULL,NULL,NULL,NULL,NULL,114,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 33.pdf,Computation of the OI-OII-OIII phase diagram and local oxygen configurations of YBa<sub>2</sub>Cu<sub>3</sub>O<sub>z</sub> with z between 6.5 and 7,18,NULL,Physica C,NULL,3,106,Computation of the OI-OII-OIII phase diagram and local oxygen configurations of YBa2Cu3Oz with z between 6.5 and 7,177,1991
  90. NULL,D. de Fontaine,G. Ceder,M. Asta,R. McCormack,NULL,NULL,NULL,NULL,NULL,418,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 36.pdf,Oxygen ordering and superconductivity in YBa<sub>2</sub>cu<sub>3</sub>O<sub>z</sub>,19,NULL,High Temperature Superconducting Compounds III: Processing and Microstructure Property Relationships,NULL,4,411,Oxygen ordering and superconductivity in YBa2cu3Oz,X,1991
  91. NULL,R. Riedinger,H. Dreysse,G. Ceder,C. Wolverton,D. Fontaine,NULL,NULL,NULL,NULL,492,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 37.pdf,Electronic structure of disordered alloy described with a reduced set of configurations,20,7,Solid State Communications,NULL,5,489,Electronic structure of disordered alloy described with a reduced set of configurations,80,1991
  92. NULL,R. McCormack,D. de Fontaine,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,12987,http://burgaz.mit.edu/PUBLICATIONS/PDF/PRB-45-12976-1992.pdf,Oxygen configurations and their effect on charge transfer in off-stoichiometric YBa<sub>2</sub>Cu<sub>3</sub>O<sub>z</sub>,21,22,Physical Review B,NULL,3,12976,Oxygen configurations and their effect on charge transfer in off-stoichiometric YBa2Cu3Oz,45,1992
  93. NULL,C. Wolverton,G. Ceder,D. de Fontaine,H. Dreysse,NULL,NULL,NULL,NULL,NULL,13108,http://burgaz.mit.edu/PUBLICATIONS/PDF/PRB-45-13105-1992.pdf,An initio ground-state study with fourth-nearest-neighbor cluster interactions for fcc Pd-V alloys,22,22,Physical Review B,NULL,4,13105,An initio ground-state study with fourth-nearest-neighbor cluster interactions for fcc Pd-V alloys,45,1992
  94. NULL,D. de Fontaine,G. Ceder,M. Asta,R. McCormack,NULL,NULL,NULL,NULL,NULL,384,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 38.pdf,Energetics and statistics of order in alloys with application to oxide superconductors,23,NULL,Order and Disorder in Alloys,NULL,4,372,Energetics and statistics of order in alloys with application to oxide superconductors,X,1992
  95. NULL,D. de Fontaine,C. Wolverton,G. Ceder,H. Dreysse,NULL,NULL,NULL,NULL,NULL,71,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 39.pdf,Cluster expansion of fcc Pd-V intermetallics,24,NULL,"Ordered Intermetallics - Physical Metallurgy and Mechanical Behavior, NATO ASI Series E",NULL,4,61,Cluster expansion of fcc Pd-V intermetallics,213,1992
  96. NULL,D. de Fontaine,R. McCormack,G. Ceder,E. Salomons,NULL,NULL,NULL,NULL,NULL,76,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 40.pdf,Statics and kinetics of oxygen ordering in the oxide superconductor YBa<sub>2</sub>Cu<sub>3</sub>O<sub>z</sub>,25,NULL,Kinetics of Ordering Transformations in Metals,NULL,4,61,Statics and kinetics of oxygen ordering in the oxide superconductor YBa2Cu3Oz,X,1992
  97. NULL,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,97,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 42.pdf,The stability of long period superstructures within the Ising model framework,26,NULL,Kinetics of Ordering Transformations in Metals,NULL,1,87,The stability of long period superstructures within the Ising model framework,NULL,1992
  98. NULL,D. de Fontaine,M. Asta,G. Ceder,R. McCormack,G. V. Tendeloo,NULL,NULL,NULL,NULL,234,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 43.pdf,On the asymmetric next-nearest-neighbor Ising model of oxygen ordering in YBa<sub>2</sub>Cu<sub>3</sub>O<sub>z</sub>,27,3,Europhysics Letters,NULL,5,229,On the asymmetric next-nearest-neighbor Ising model of oxygen ordering in YBa2Cu3Oz,19,1992
  99. NULL,C. Wolverton,G. Ceder,D. de Fontaine,H. Dreysse,NULL,NULL,NULL,NULL,NULL,248,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 44.pdf,Ground state searches in fcc intermetallics,28,NULL,Mat. Res. Soc. Symp. Proc.,NULL,4,243,Ground state searches in fcc intermetallics,253,1992
  100. NULL,R. McCormack,G. Ceder,D. de Fontaine,NULL,NULL,NULL,NULL,NULL,NULL,12987,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 45.pdf,Study of the oxygen configurations and their effect on charge transfer in off-stoichiometric YBa<sub>2</sub>Cu<sub>3</sub>O<sub>z</sub>,29,NULL,Phys. Rev. B,NULL,3,12976,Study of the oxygen configurations and their effect on charge transfer in off-stoichiometric YBa2Cu3Oz,45,1992
  101. NULL,C. Wolverton,D. de Fontaine,H. Dreysse,G. Ceder,NULL,NULL,NULL,NULL,NULL,312,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 46.pdf,Electronic structure of substitutionally disordered alloys: direct configurational averaging,30,NULL,Mat. Res. Soc. Symp. Proc.,NULL,4,307,Electronic structure of substitutionally disordered alloys: direct configurational averaging,278,1992
  102. NULL,D. de Fontaine,C. Wolverton,M. Asta,G. Ceder,NULL,NULL,NULL,NULL,NULL,348,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 47.pdf,Prediction of ordered superstructure phase equilibria,31,NULL,J. Phase Equilibria,NULL,4,334,Prediction of ordered superstructure phase equilibria,13,1992
  103. NULL,C. Wolverton,G. Ceder,D. de Fontaine,H. Dreysse,NULL,NULL,NULL,NULL,NULL,747,http://burgaz.mit.edu/PUBLICATIONS/PDF/PRB-48-726-1993.pdf,Ab initio determination of structural stability in fcc-based transition-metal alloys,32,2,Phsycial Review B,NULL,4,726,Ab initio determination of structural stability in fcc-based transition-metal alloys,48,1993
  104. NULL,R. McCormack,M. Asta,D. de Fontaine,G. Garbulsky,G. Ceder,NULL,NULL,NULL,NULL,6780,http://burgaz.mit.edu/PUBLICATIONS/PDF/PRB-48-6767-1993.pdf,hcp Ising model in the cluster-variation approximation,33,10,Physical Review B,NULL,5,6767,hcp Ising model in the cluster-variation approximation,48,1993
  105. NULL,G. Ceder,H. Dreysse,D. de Fontaine,NULL,NULL,NULL,NULL,NULL,NULL,113,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 48.pdf,Triplet interactions and the c(2X2) overlayer phase diagram,34,NULL,Physica A,NULL,3,105,Triplet interactions and the c(2X2) overlayer phase diagram,193,1993
  106. NULL,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,150,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 49.pdf,A derivation of the Ising model for the computation of phase diagrams,35,NULL,Computational Materials Science,NULL,1,144,A derivation of the Ising model for the computation of phase diagrams,1,1993
  107. NULL,P. D. Tepesch,G. Ceder,C. Wolverton,D. de Fontaine,NULL,NULL,NULL,NULL,NULL,134,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 50.pdf,Ab Initio calculation of the Pd-V fcc superstructure phase diagram with fourth nearest neighbor interactions,36,NULL,Mat. Res. Soc. Symp. Proc.,NULL,4,129,Ab Initio calculation of the Pd-V fcc superstructure phase diagram with fourth nearest neighbor interactions,291,1993
  108. NULL,G. D. Garbulsky,P. D. Tepesch,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,265,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 51.pdf,Ground state analysis on the fcc lattice with four pair interactions,37,NULL,Mat. Res. Soc. Symp. Proc.,NULL,3,259,Ground state analysis on the fcc lattice with four pair interactions,291,1993
  109. NULL,R. McCormack,M. Asta,G. Ceder,D. de Fontaine,NULL,NULL,NULL,NULL,NULL,400,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 52.pdf,Phase transformations in hexagonal-closed-packed alloys: analysis with cluster variation method,38,NULL,Mat. Res. Soc. Symp. Proc.,NULL,4,395,Phase transformations in hexagonal-closed-packed alloys: analysis with cluster variation method,291,1993
  110. NULL,G. Ceder,G. D. Garbulsky,D. Avis,K. Fukuda,NULL,NULL,NULL,NULL,NULL,7,http://burgaz.mit.edu/PUBLICATIONS/PDF/PRB-49-1-1994.pdf,Ground states of a ternary fcc lattice model with nearest- and next-nearest-neighbor interactions,39,1,Physical Review B,NULL,4,1,Ground states of a ternary fcc lattice model with nearest- and next-nearest-neighbor interactions,49,1994
  111. NULL,G. D. Garbulsky,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,6330,http://burgaz.mit.edu/PUBLICATIONS/PDF/PRB-49-6327-1994.pdf,Effect of lattice vibrations on the ordering tendencies in substitutional binary alloys,40,9,Physical Review B,NULL,2,6327,Effect of lattice vibrations on the ordering tendencies in substitutional binary alloys,49,1994
  112. NULL,G. Ceder,P. D. Tepesch,C. Wolverton,D. de Fontaine,NULL,NULL,NULL,NULL,NULL,576,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 53.pdf,Ab Initio computation of the Pd-V phase diagram,41,NULL,Statics and Dynamics of Alloy Phase Transformations,NULL,4,571,Ab Initio computation of the Pd-V phase diagram,X,1994
  113. NULL,M. Asta,R. McCormack,M. van Schilfgaarde,G. Ceder,D. de Fontaine,NULL,NULL,NULL,NULL,586,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 54.pdf,Phase stability of fcc and hcp based intermetallics: the Ti-Al and Cd-Mg systems,42,NULL,Statics and Dynamics of Alloy Phase Transformations,NULL,5,581,Phase stability of fcc and hcp based intermetallics: the Ti-Al and Cd-Mg systems,X,1994
  114. NULL,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,153,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 55.pdf,A computational study of oxygen ordering in YBa<sub>2</sub>Cu<sub>3</sub>O<sub>z</sub> and its relation to superconductivity,43,NULL,Molecular Simulation,NULL,1,141,A computational study of oxygen ordering in YBa2Cu3Oz and its relation to superconductivity,12,1994
  115. NULL,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,1956,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 56.pdf,Modelling: The ab initio computation of phase diagrams,44,NULL,Encyclopedia of Advanced Materials,NULL,1,1951,Modelling: The ab initio computation of phase diagrams,X,1994
  116. NULL,G. Ceder,G. D. Garbulsky,NULL,NULL,NULL,NULL,NULL,NULL,NULL,8,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 57.pdf,Ground state diagrams of ternary fcc alloys,45,NULL,"Alloy Modelling and Design, The Minerals, Metals and Materials Society",NULL,2,1,Ground state diagrams of ternary fcc alloys,107,1994
  117. NULL,G. D. Garbulsky,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,157,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 58.pdf,Cluster expansion of vibrational properties in binary alloys,46,NULL,"Alloy Modelling and Design, Th Minerals, Metals and Materials Society",NULL,2,149,Cluster expansion of vibrational properties in binary alloys,195,1994
  118. NULL,R. McCormack,G. Ceder,C. Wolverton,D. de Fontaine,NULL,NULL,NULL,NULL,NULL,9,http://burgaz.mit.edu/PUBLICATIONS/PDF/Document 59.pdf,First-principles ternary phase equilibria,47,NULL,"Alloy Modelling and Design, The Minerals, Metals and Materials Society",NULL,4,1,First-principles ternary phase equilibria,127,1994
  119. NULL,G. D. Garbulsky,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,72,http://burgaz.mit.edu/PUBLICATIONS/PDF/prb-51-67-1995b.pdf,Linear-Programming Method for Obtaining Effective Cluster Interactions in Alloys from Total-Energy Calculations - Application to the Fcc Pd-V System,48,1,Physical Review B,NULL,2,67,Linear-Programming Method for Obtaining Effective Cluster Interactions in Alloys from Total-Energy Calculations - Application to the Fcc Pd-V System,51,1995
  120. NULL,P. D. Tepesch,G. D. Garbulsky,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,2275,http://burgaz.mit.edu/PUBLICATIONS/PDF/prl-74-2272-1995b.pdf,Model for Configurational Thermodynamics in Ionic Systems,49,12,Physical Review Letters,NULL,3,2272,Model for Configurational Thermodynamics in Ionic Systems,74,1995
  121. NULL,G. Ceder,G. D. Garbulsky,P. D. Tepesch,NULL,NULL,NULL,NULL,NULL,NULL,11261,http://burgaz.mit.edu/PUBLICATIONS/PDF/prb-51-11257-1995b.pdf,Convergent real-space cluster expansion for configurational disorder in ionic systems,50,5,Physical Review B,NULL,3,11257,Convergent real-space cluster expansion for configurational disorder in ionic systems,51,1995
  122. NULL,G. D. Garbulsky,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,9001,http://burgaz.mit.edu/PUBLICATIONS/PDF/prb-53-8993-1996b.pdf,Contribution of the vibrational free energy to phase stability in substitutional alloys: Methods and trends,51,14,Physical Review B,NULL,2,8993,Contribution of the vibrational free energy to phase stability in substitutional alloys: Methods and trends,53,1996
  123. NULL,S. Balasubramanian,G. Ceder,K. D. Kolenbrander,NULL,NULL,NULL,NULL,NULL,NULL,4136,http://burgaz.mit.edu/PUBLICATIONS/PDF/jap-79-4132-1996b.pdf,Three-dimensional epitaxy: Thermodynamic stability range of coherent germanium nanocrystallites in silicon,52,7,Journal of Applied Physics,NULL,3,4132,Three-dimensional epitaxy: Thermodynamic stability range of coherent germanium nanocrystallites in silicon,79,1996
  124. NULL,A. F. Kohan,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,811,http://burgaz.mit.edu/PUBLICATIONS/PDF/prb-54-805-1996b.pdf,Tight-binding calculation of formation energies in multicomponent oxides: Application to the MgO-CaO phase diagram,53,2,Physical Review B,NULL,2,805,Tight-binding calculation of formation energies in multicomponent oxides: Application to the MgO-CaO phase diagram,54,1996
  125. NULL,P. D. Tepesch,A. F. Kohan,G. D. Garbulsky,G. Ceder,C. Coley,H. T. Stokes,L. L. Boyer,M. J. Mehl,B. P. Burton,2040,http://burgaz.mit.edu/PUBLICATIONS/PDF/jacs-79-2033-1996.pdf,A model to compute phase diagrams in oxides with empirical or first-principles energy methods and application to the solubility limits in the CaO-MgO system,54,8,Journal of the American Ceramic Society,NULL,9,2033,A model to compute phase diagrams in oxides with empirical or first-principles energy methods and application to the solubility limits in the CaO-MgO system,79,1996
  126. NULL,J. R. Lee,Y. M. Chiang,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,1257,http://burgaz.mit.edu/PUBLICATIONS/PDF/am-45-1247-1997.pdf,Pressure-thermodynamic study of grain boundaries: Bi segregation in ZnO,55,3,Acta Materialia,NULL,3,1247,Pressure-thermodynamic study of grain boundaries: Bi segregation in ZnO,45,1997
  127. NULL,G. Ceder,M. K. Aydinol,A. F. Kohan,NULL,NULL,NULL,NULL,NULL,NULL,169,http://burgaz.mit.edu/PUBLICATIONS/PDF/cms-8-161-1997.pdf,Application of first-principles calculations to the design of rechargeable Li-batteries,56,1-2,Computational Materials Science,NULL,3,161,Application of first-principles calculations to the design of rechargeable Li-batteries,8,1997
  128. NULL,A. F. Kohan,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,152,http://burgaz.mit.edu/PUBLICATIONS/PDF/cms-8-142-1997.pdf,Calculation of total energies in multicomponent oxides,57,1-2,Computational Materials Science,NULL,2,142,Calculation of total energies in multicomponent oxides,8,1997
  129. NULL,M. K. Aydinol,A. F. Kohan,G. Ceder,K. Cho,J. Joannopoulos,NULL,NULL,NULL,NULL,1365,http://burgaz.mit.edu/PUBLICATIONS/PDF/prb-56-1354-1997.pdf,Ab initio study of lithium intercalation in metal oxides and metal dichalcogenides,58,3,Physical Review B,NULL,5,1354,Ab initio study of lithium intercalation in metal oxides and metal dichalcogenides,56,1997
  130. NULL,M. K. Aydinol,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,3835,http://burgaz.mit.edu/PUBLICATIONS/PDF/jes-144-3832-1997.pdf,First-principles prediction of insertion potentials in Li-Mn oxides for secondary Li batteries,59,11,Journal of the Electrochemical Society,NULL,2,3832,First-principles prediction of insertion potentials in Li-Mn oxides for secondary Li batteries,144,1997
  131. NULL,M. K. Aydinol,A. F. Kohan,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,668,http://burgaz.mit.edu/PUBLICATIONS/PDF/jps-68-664-1997.pdf,Ab initio calculation of the intercalation voltage of lithium transition metal oxide electrodes for rechargeable batteries,60,2,Journal of Power Sources,NULL,3,664,Ab initio calculation of the intercalation voltage of lithium transition metal oxide electrodes for rechargeable batteries,68,1997
  132. NULL,G. Ceder,P. D. Tepesch,A. F. Kohan,A. Van der Ven,NULL,NULL,NULL,NULL,NULL,26,http://burgaz.mit.edu/PUBLICATIONS/PDF/je-1-15-1997b.pdf,"A model to predict ionic disorder and phase diagrams: Application to CaO-MgO, Gd<sub>2</sub>O<sub>3</sub>-ZrO<sub>2</sub>, and to sodium beta - alumina",61,1,Journal of Electroceramics,NULL,4,15,"A model to predict ionic disorder and phase diagrams: Application to CaO-MgO, Gd2O3-ZrO2, and to sodium beta - alumina",1,1997
  133. NULL,A. F. Kohan,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,3843,http://burgaz.mit.edu/PUBLICATIONS/PDF/prb-57-3838-1998b.pdf,Charge transfer in multicomponent oxides,62,7,Physical Review B,NULL,2,3838,Charge transfer in multicomponent oxides,57,1998
  134. NULL,A. F. Kohan,P. D. Tepesch,G. Ceder,C. Wolverton,NULL,NULL,NULL,NULL,NULL,396,http://burgaz.mit.edu/PUBLICATIONS/PDF/cms-9-389-1998b.pdf,Computation of alloy phase diagrams at low temperatures,63,3-4,Computational Materials Science,NULL,4,389,Computation of alloy phase diagrams at low temperatures,9,1998
  135. NULL,G. Ceder,A. F. Kohan,M. K. Aydinol,P. D. Tepesch,A. Van der Ven,NULL,NULL,NULL,NULL,525,http://burgaz.mit.edu/PUBLICATIONS/PDF/jacs-81-517-1998.pdf,Thermodynamics of oxides with substitutional disorder: A microscopic model and evaluation of important energy contributions,64,3,Journal of the American Ceramic Society,NULL,5,517,Thermodynamics of oxides with substitutional disorder: A microscopic model and evaluation of important energy contributions,81,1998
  136. NULL,E. J. Wu,P. D. Tepesch,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,1047,http://burgaz.mit.edu/PUBLICATIONS/PDF/pmb-77-1039-1998b.pdf,Size and charge effects on the structural stability of LiMO<sub>2</sub> (M = transition metal) compounds,65,4,Philosophical Magazine B,NULL,3,1039,Size and charge effects on the structural stability of LiMO2 (M = transition metal) compounds,77,1998
  137. NULL,G. Ceder,Y. M. Chiang,D. R. Sadoway,M. K. Aydinol,Y. I. Jang,B. Huang,NULL,NULL,NULL,696,http://burgaz.mit.edu/PUBLICATIONS/PDF/n-392-694-1998.pdf,Identification of cathode materials for lithium batteries guided by first-principles calculations,66,6677,Nature,NULL,6,694,Identification of cathode materials for lithium batteries guided by first-principles calculations,392,1998
  138. NULL,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,1100,http://burgaz.mit.edu/PUBLICATIONS/PDF/s-280-1099-1998.pdf,Computational materials science - Predicting properties from scratch,67,5366,Science,NULL,1,1099,Computational materials science - Predicting properties from scratch,280,1998
  139. NULL,A. Van der Ven,M. K. Aydinol,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,2155,http://burgaz.mit.edu/PUBLICATIONS/PDF/jes-145-2149-1998.pdf,First-principles evidence for stage ordering in LixCoO<sub>2</sub>,68,6,Journal of the Electrochemical Society,NULL,3,2149,First-principles evidence for stage ordering in LixCoO2,145,1998
  140. NULL,A. van de Walle,G. Ceder,U. V. Waghmare,NULL,NULL,NULL,NULL,NULL,NULL,4914,http://burgaz.mit.edu/PUBLICATIONS/PDF/prl-80-4911-1998.pdf,First-principles computation of the vibrational entropy of ordered and disordered Ni<sub>3</sub>Al,69,22,Physical Review Letters,NULL,3,4911,First-principles computation of the vibrational entropy of ordered and disordered Ni3Al,80,1998
  141. NULL,G. Ceder,M. K. Aydinol,NULL,NULL,NULL,NULL,NULL,NULL,NULL,157,http://burgaz.mit.edu/PUBLICATIONS/PDF/ssi-109-151-1998.pdf,The electrochemical stability of lithium-metal oxides against metal reduction,70,1-2,Solid State Ionics,NULL,2,151,The electrochemical stability of lithium-metal oxides against metal reduction,109,1998
  142. NULL,A. Van der Ven,M. K. Aydinol,G. Ceder,G. Kresse,J. Hafner,NULL,NULL,NULL,NULL,2987,http://burgaz.mit.edu/PUBLICATIONS/PDF/prb-58-2975-1998.pdf,First-principles investigation of phase stability in Li<sub>x</sub>CoO<sub>2</sub>,71,6,Physical Review B,NULL,5,2975,First-principles investigation of phase stability in LixCoO2,58,1998
  143. NULL,G. Ceder,A. Van der Ven,M. K. Aydinol,NULL,NULL,NULL,NULL,NULL,NULL,40,http://burgaz.mit.edu/PUBLICATIONS/PDF/jom-50-35-1998.pdf,Lithium-intercalation oxides for rechargeable batteries,72,9,JOM-Journal of the Minerals Metals & Materials Society,NULL,3,35,Lithium-intercalation oxides for rechargeable batteries,50,1998
  144. NULL,P. D. Tepesch,M. Asta,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,797,http://burgaz.mit.edu/PUBLICATIONS/PDF/msmse-6-787-1998.pdf,Computation of configurational entropy using Monte Carlo probabilities in cluster-variation method entropy expressions,73,6,Modelling and Simulation in Materials Science and Engineering,NULL,3,787,Computation of configurational entropy using Monte Carlo probabilities in cluster-variation method entropy expressions,6,1998
  145. NULL,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,537,http://burgaz.mit.edu/PUBLICATIONS/PDF/cossms-3-533-1998.pdf,The first-principles calculation of phase stability and thermodynamic properties,74,6,Current Opinion in Solid State & Materials Science,NULL,1,533,The first-principles calculation of phase stability and thermodynamic properties,3,1998
  146. NULL,A. Van der Ven,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,749,http://burgaz.mit.edu/PUBLICATIONS/PDF/prb-59-742-1999.pdf,Electrochemical properties of spinel Li<sub>x</sub>CoO<sub>2</sub>: A first- principles investigation,75,2,Physical Review B,NULL,2,742,Electrochemical properties of spinel LixCoO2: A first- principles investigation,59,1999
  147. NULL,Jang YI,Huang BY,Wang HF,Sadoway DR,Ceder G,Chiang YM,Liu H,Tamura H,NULL,868,http://burgaz.mit.edu/PUBLICATIONS/PDF/jes-146-862-1999.pdf,LiAl<sub>y</sub>Co<sub>1-y</sub>O<sub>2</sub> (R(3)over-bar-m) intercalation cathode for rechargeable lithium batteries,76,3,Journal of the Electrochemical society,NULL,8,862,LiAlyCo1-yO2 (R(3)over-bar-m) intercalation cathode for rechargeable lithium batteries,146,1999
  148. NULL,S. K. Mishra,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,6130,http://burgaz.mit.edu/PUBLICATIONS/PDF/prb-59-6120-1999.pdf,Structural stability of lithium manganese oxides,77,9,Physical Review B,NULL,2,6120,Structural stability of lithium manganese oxides,59,1999
  149. NULL,A. van de Walle,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,15001,http://burgaz.mit.edu/PUBLICATIONS/PDF/prb-59-14992-1999.pdf,Correcting overbinding in local-density-approximation calculations,78,23,Physical Review B,NULL,2,14992,Correcting overbinding in local-density-approximation calculations,59,1999
  150. NULL,G. Ceder,S. K. Mishra,NULL,NULL,NULL,NULL,NULL,NULL,NULL,552,http://burgaz.mit.edu/PUBLICATIONS/PDF/essl-2-550-1999.pdf,The stability of orthorhombic and monoclinic-layered LiMnO<sub>2</sub>,79,11,Electrochemical and Solid State Letters,NULL,2,550,The stability of orthorhombic and monoclinic-layered LiMnO2,2,1999
  151. NULL,G. Ceder,A. Van der Ven,NULL,NULL,NULL,NULL,NULL,NULL,NULL,150,http://burgaz.mit.edu/PUBLICATIONS/PDF/ea-45-131-1999.pdf,Phase diagrams of lithium transition metal oxides: investigations from first principles,80,1-2,Electrochmica Acta,NULL,2,131,Phase diagrams of lithium transition metal oxides: investigations from first principles,45,1999
  152. NULL,Y. I. Jang,B. Y. Huang,H. F. Wang,G. R. Maskaly,G. Ceder,D. R. Sadoway,Y. M. Chiang,H. Liu,H. Tamura,593,http://burgaz.mit.edu/PUBLICATIONS/PDF/jps-81-589-1999.pdf,Synthesis and characterization of LiAl<sub>y</sub>Co<sub>1-y</sub>O<sub>2</sub> and LiAl<sub>y</sub>Ni<sub>1-y</sub>O<sub>2</sub>,81,NULL,Journal of Power Sources,NULL,9,589,Synthesis and characterization of LiAlyCo1-yO2 and LiAlyNi1-yO2,81,1999
  153. NULL,S. Buta,D. Morgan,A. Van der Ven,M. K. Aydinol,G. Ceder,NULL,NULL,NULL,NULL,4338,http://burgaz.mit.edu/PUBLICATIONS/PDF/jes-146-4335-1999.pdf,Phase separation tendencies of aluminum-doped transition-metal oxides (LiAl1-xMxO2)in the alpha-NaFeO2 crystal structure,82,12,Journal of the Electrochemical Society,NULL,5,4335,Phase separation tendencies of aluminum-doped transition-metal oxides (LiAl1-xMxO2)in the alpha-NaFeO2 crystal structure,146,1999
  154. NULL,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,76,NULL,Materials science needs and is getting quantitative methods,83,NULL,Physics Today,NULL,1,75,Materials science needs and is getting quantitative methods,53,2000
  155. NULL,A. van de Walle,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,5978,http://burgaz.mit.edu/PUBLICATIONS/PDF/prb-61-5972-2000.pdf,First-principles computation of the vibrational entropy of ordered and disordered Pd<sub>3</sub>V,84,9,Physical Review B,NULL,2,5972,First-principles computation of the vibrational entropy of ordered and disordered Pd3V,61,2000
  156. NULL,T. Takahashi,E. J. Wu,A. Van der Ven,G. Ceder,NULL,NULL,NULL,NULL,NULL,1248,http://burgaz.mit.edu/PUBLICATIONS/PDF/jjap-39a-1241-2000.pdf,First-principles investigation of B-site ordering in Ba(Mg<sub>x</sub>Ta<sub>1-x</sub>)O<sub>3</sub> microwave dielectrics with the complex perovskite structure,85,3,Japanese Journal of Applied Physics,NULL,4,1241,First-principles investigation of B-site ordering in Ba(MgxTa1-x)O3 microwave dielectrics with the complex perovskite structure,39,2000
  157. NULL,A. Van der Ven,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,304,http://burgaz.mit.edu/PUBLICATIONS/PDF/essl-3-301-2000.pdf,Lithium diffusion in layered Li<sub>x</sub>CoO<sub>2</sub>,86,7,Electrochemical and Solid State Letters,NULL,2,301,Lithium diffusion in layered LixCoO2,3,2000
  158. NULL,G. Ceder,A. Van der Ven,C. Marianetti,D. Morgan,NULL,NULL,NULL,NULL,NULL,321,http://burgaz.mit.edu/PUBLICATIONS/PDF/msmse-8-311-2000.pdf,First-principles alloy theory in oxides,87,3,Modelling and Simulation in Materials Science and Engineering,NULL,4,311,First-principles alloy theory in oxides,8,2000
  159. NULL,D. Morgan,A. van de Walle,G. Ceder,J. D. Althoff,D. de Fontaine,NULL,NULL,NULL,NULL,309,http://burgaz.mit.edu/PUBLICATIONS/PDF/msmse-8-295-2000.pdf,Vibrational thermodynamics: coupling of chemical order and size effects,88,3,Modelling and Simulation in Materials Science and Engineering,NULL,5,295,Vibrational thermodynamics: coupling of chemical order and size effects,8,2000
  160. NULL,A. F. Kohan,G. Ceder,D. Morgan,C. G. Van de Walle,NULL,NULL,NULL,NULL,NULL,15027,http://burgaz.mit.edu/PUBLICATIONS/PDF/prb-61-15019-2000.pdf,First-principles study of native point defects in ZnO,89,22,Physical Review B,NULL,4,15019,First-principles study of native point defects in ZnO,61,2000
  161. NULL,T. Takahashi,E. J. Wu,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,2064,http://burgaz.mit.edu/PUBLICATIONS/PDF/jmr-15-2061-2000.pdf,First-principles estimate of the order-disorder transition in Ba(Zn<sub>x</sub>Nb<sub>1-x</sub>)O<sub>3</sub> microwave dielectrics,90,10,Journal of Materials Research,NULL,3,2061,First-principles estimate of the order-disorder transition in Ba(ZnxNb1-x)O3 microwave dielectrics,15,2000
  162. NULL,A. Van der Ven,C. Marianetti,D. Morgan,G. Ceder,NULL,NULL,NULL,NULL,NULL,32,http://burgaz.mit.edu/PUBLICATIONS/PDF/ssi-135-21-2000.pdf,Phase transformations and volume changes in spinel Li<sub>x</sub>Mn<sub>2</sub>O<sub>4</sub>,91,1-4,Solid State Ionics,NULL,4,21,Phase transformations and volume changes in spinel LixMn2O4,135,2000
  163. NULL,A. Predith,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,189,http://burgaz.mit.edu/PUBLICATIONS/pes--182-2000.pdf,A Computational Investigation of Migration Enthalpies and Electronic Structure in SrFeO<sub>3-delta</sub>,92,NULL,Solid State Ionic Devices II Ceramic Sensors: Proceedings of the Electrochemical Society,NULL,2,182,A Computational Investigation of Migration Enthalpies and Electronic Structure in SrFeO3-delta,PV-2000-32,2000
  164. NULL,J. Reed,G. Ceder,A. Van der Ven,NULL,NULL,NULL,NULL,NULL,NULL,A81,http://burgaz.mit.edu/PUBLICATIONS/PDF/essl-4-a78-2001.pdf,Layered-to-spinel phase transition in Li<sub>x</sub>MnO<sub>2</sub>,93,6,Electrochemical and Solid State Letters,NULL,3,A78,Layered-to-spinel phase transition in LixMnO2,4,2001
  165. NULL,M. de Dompablo,C. Marianetti,A. Van der Ven,G. Ceder,NULL,NULL,NULL,NULL,NULL,144107-9,http://burgaz.mit.edu/PUBLICATIONS/PDF/prb-63-144107-2001.pdf,Jahn-Teller mediated ordering in layered Li<sub>x</sub>MO<sub>2</sub> compounds,94,14,Physical Review B,NULL,4,144107-1,Jahn-Teller mediated ordering in layered LixMO2 compounds,63,2001
  166. NULL,E. J. Wu,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,5636,http://burgaz.mit.edu/PUBLICATIONS/PDF/jap-89-5630-2001.pdf,Computational investigation of dielectric absorption at microwave frequencies in binary oxides,95,10,Journal of Applied Physics,NULL,2,5630,Computational investigation of dielectric absorption at microwave frequencies in binary oxides,89,2001
  167. NULL,C. A. Marianetti,D. Morgan,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,224304-15,http://burgaz.mit.edu/PUBLICATIONS/PDF/prb-63-224304-2001.pdf,First-principles investigation of the cooperative Jahn-Teller effect for octahedrally coordinated transition-metal ions,96,22,Physical Review B,NULL,3,224304-1,First-principles investigation of the cooperative Jahn-Teller effect for octahedrally coordinated transition-metal ions,63,2001
  168. NULL,A. Van der Ven,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,531,http://burgaz.mit.edu/PUBLICATIONS/PDF/jps-97-529-2001.pdf,Lithium diffusion mechanisms in layered intercalation compounds,97,NULL,Journal of Power Sources,NULL,2,529,Lithium diffusion mechanisms in layered intercalation compounds,97-8,2001
  169. NULL,A. Van der Ven,G. Ceder,M. Asta,P. D. Tepesch,NULL,NULL,NULL,NULL,NULL,184307-17,http://burgaz.mit.edu/PUBLICATIONS/PDF/prb-64-184307-2001.pdf,First-principles theory of ionic diffusion with nondilute carriers,98,18,Physical Review B,NULL,4,184307-1,First-principles theory of ionic diffusion with nondilute carriers,64,2001
  170. NULL,A. van de Walle,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,45,http://burgaz.mit.edu/PUBLICATIONS/PDF/rmp-74-11-2002.pdf,The effect of lattice vibrations on substitutional alloy thermodynamics,99,1,Review of Modern Physics,NULL,2,11,The effect of lattice vibrations on substitutional alloy thermodynamics,74,2002
  171. NULL,J. Reed,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,A148,http://burgaz.mit.edu/PUBLICATIONS/PDF/essl-5-a145-2002.pdf,"Charge, potential,and phase stability of layered Li(Ni<sub>0.5</sub>Mn<sub>0.5</sub>)O<sub>2</sub>",100,7,Electrochemical and Solid State Letters,NULL,2,A145,"Charge, potential,and phase stability of layered Li(Ni0.5Mn0.5)O2",5,2002
  172. NULL,S. Curtarolo,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,255504-4,http://burgaz.mit.edu/PUBLICATIONS/PDF/prl-88-255504-2002.pdf,Dynamics of an Inhomogeneously Coarse Grained Multiscale System,101,25,Physical Review Letters,NULL,2,255504-1,Dynamics of an Inhomogeneously Coarse Grained Multiscale System,88,2002
  173. NULL,G. Ceder,M. Doyle,P. Arora,Y. Fuentes,NULL,NULL,NULL,NULL,NULL,623,http://burgaz.mit.edu/PUBLICATIONS/PDF/mrs-aug02.pdf,Computational modeling and simulation for rechargeable batteries,102,8,MRS Bulletin,NULL,4,619,Computational modeling and simulation for rechargeable batteries,27,2002
  174. NULL,A. van de Walle,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,359,http://burgaz.mit.edu/PUBLICATIONS/PDF/JPE-23-348-2002.pdf,Automating first-principles phase diagram calculations,103,4,Journal of Phase Equilibria,NULL,2,348,Automating first-principles phase diagram calculations,23,2002
  175. NULL,M. E. Arroyo y de Dompablo,A. Van der Ven,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,064112-9,http://burgaz.mit.edu/PUBLICATIONS/PDF/prb-66-64112.pdf,First-principles calculations of lithium ordering and phase stability on LixNiO<sub>2</sub>,104,6,Physical Review B,NULL,3,064112-1,First-principles calculations of lithium ordering and phase stability on LixNiO2,66,2002
  176. NULL,D. Balachandran ,D. Morgan,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,103,http://burgaz.mit.edu/PUBLICATIONS/PDF/jssc-166-91-2002.pdf,First Principles study of H-insertion in MnO<sub>2</sub>,105,1,Journal of Solid State Chemistry,NULL,3,91,First Principles study of H-insertion in MnO2,166,2002
  177. NULL,H. Smithson,C. A. Marianetti,D. Morgan,G. Ceder,NULL,NULL,NULL,NULL,NULL,144107-10,http://burgaz.mit.edu/PUBLICATIONS/prb-66-144107-2002.pdf,First-principles study of the stability and electronic structure of metal hydrides,106,14,Physical Review B,NULL,4,144107-1,First-principles study of the stability and electronic structure of metal hydrides,66,2002
  178. NULL,D. Morgan,G. Ceder,M. Y. Saidi,J. Barker,J. Swoyer,H. Huang,G. Adamson,NULL,NULL,4693,http://burgaz.mit.edu/PUBLICATIONS/PDF/cm-14-4684-2002.pdf,Experimental and computational study of the structure and electrochemical properties of Li<Sub>x</sub>M<sub>2</sub>(PO<sub>4</sub>)<sub>3</sub> compounds with the monoclinic and rhombohedral structure,107,11,Chemistry of Materials,NULL,7,4684,Experimental and computational study of the structure and electrochemical properties of Li<Sub>xM2(PO4)3 compounds with the monoclinic and rhombohedral structure,14,2002
  179. NULL,R. J. Cava,F. J. DiSalvo,L. E. Brus,K. R. Dunbar,C. B. Gorman,S. M. Haile,L. V. Interrante,J. L. Musfeldt,A. Navrotsky,101,http://burgaz.mit.edu/PUBLICATIONS/PDF/pssc-30-1-2002.pdf,Future directions in solid state chemistry: report of the NSF-sponsored workshop,108,1-2,Progress in Solid State Chemistry,NULL,9,1,Future directions in solid state chemistry: report of the NSF-sponsored workshop,30,2002
  180. NULL,A. van de Walle,M. Asta,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,553,http://burgaz.mit.edu/PUBLICATIONS/PDF/avdv_Calphad_26(4)_539_2002.pdf,The Alloy Theoretic Automated Toolkit: A user guide,109,4,Calphad-Computer Coupling of Phase Diagrams and Thermochemistry,NULL,3,539,The Alloy Theoretic Automated Toolkit: A user guide,26,2002
  181. NULL,A. Seidel,C. A. Marianetti,F. C. Chou,G. Ceder,P. A. Lee,NULL,NULL,NULL,NULL,20405-4,http://burgaz.mit.edu/PUBLICATIONS/PDF/prb-67-02045-2003.pdf,S=1/2 chains and spin-Peierls transition in TiOCl,110,2,Physical Review B,NULL,5,20405-1,S=1/2 chains and spin-Peierls transition in TiOCl,67,2003
  182. NULL,M. E. Arroyo y de Dompablo,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,67,http://burgaz.mit.edu/PUBLICATIONS/PDF/chem.Mater-15-63-2003.pdf,On the origin of the monoclinic distortion in Li<sub>x</sub>NiO<sub>2</sub>,111,1,Chemistry of materials,NULL,2,63,On the origin of the monoclinic distortion in LixNiO2,15,2003
  183. NULL,A. Van der Ven,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,060101(R)-4,http://burgaz.mit.edu/PUBLICATIONS/PDF/AlH1.pdf,Impurity-induced van der Waals transition during decohesion,112,6,Physical Review B,NULL,2,060101(R)-1,Impurity-induced van der Waals transition during decohesion,67,2003
  184. NULL,D. Morgan,B. Wang,G. Ceder,A. Van de Walle,NULL,NULL,NULL,NULL,NULL,134404-6,http://burgaz.mit.edu/PUBLICATIONS/PDF/prb-67-134404-2003.pdf,First-principles study of magnetism in spinel MnO<sub>2</sub>,113,13,Physical Review B,NULL,4,134404-1,First-principles study of magnetism in spinel MnO2,67,2003
  185. NULL,E. J. Wu,G. Ceder,A. Van de Walle,NULL,NULL,NULL,NULL,NULL,NULL,134103-7,http://burgaz.mit.edu/PUBLICATIONS/PDF/prb-67-134103-2003.pdf,"Using bond-length-dependent transferable force constants to predict vibrational entropies in Au-Cu, Au-Pd, and Cu-Pd alloys",114,13,Physical Review B,NULL,3,134103-1,"Using bond-length-dependent transferable force constants to predict vibrational entropies in Au-Cu, Au-Pd, and Cu-Pd alloys",67,2003
  186. NULL,D. Carlier,M. Menetrier,C. P. Grey,C. Delmas,G. Ceder,NULL,NULL,NULL,NULL,174116,http://burgaz.mit.edu/PUBLICATIONS/PDF/prb-67-174103-2003.pdf,Understanding the NMR shifts in paramagnetic transition metal oxides using density functional theory calculations,115,1,Physical Review B,NULL,5,174103,Understanding the NMR shifts in paramagnetic transition metal oxides using density functional theory calculations,67,2003
  187. NULL,D. Carlier,A. Van der Ven,C. Delmas,G. Ceder,NULL,NULL,NULL,NULL,NULL,2660,http://burgaz.mit.edu/PUBLICATIONS/PDF/Chem.Mat-15-2651-2003.pdf,First-principles investigation of phase stability in the O2-LiCoO<sub>2</sub> system,116,13,Chemistry of Materials,NULL,4,2651,First-principles investigation of phase stability in the O2-LiCoO2 system,15,2003
  188. NULL,D. Morgan,G. Ceder,M. Y. Saidi,J. Barker,J. Swoyer,H. Huang,G. Adamson,NULL,NULL,759,http://burgaz.mit.edu/PUBLICATIONS/PDF/jps-119-755-2003.pdf,Experimental and computational study of the structure and electrochemical properties of monoclinic Li<sub>x</sub>M<sub>2</sub>(PO4)<sub>3</sub> compounds,117,NULL,Journal of Power Sources,NULL,7,755,Experimental and computational study of the structure and electrochemical properties of monoclinic LixM2(PO4)3 compounds,119,2003
  189. NULL,M. E. Arroyo y de Dompablo,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,657,http://burgaz.mit.edu/PUBLICATIONS/PDF/jps-119-654-2003.pdf,First-principles calculations on Li<sub>x</sub>NiO<sub>2</sub>: phase stability and monoclinic distortion ,118,NULL,Journal of Power Sources,NULL,2,654,First-principles calculations on LixNiO2: phase stability and monoclinic distortion ,119,2003
  190. NULL,D. Morgan,J. Rodgers,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,4369,http://burgaz.mit.edu/PUBLICATIONS/PDF/jpcm-15-4361-2003.pdf,"Automatic construction, implementation and assessment of Pettifor maps",119,25,J. Phys.: Condens. Matter - (Selected among best papers of 2003 in J Phys.: Condens. Matter!),NULL,3,4361,"Automatic construction, implementation and assessment of Pettifor maps",15,2003
  191. NULL,S. Curtarolo,D. Morgan,K. Persson,J. Rodgers,G. Ceder,NULL,NULL,NULL,NULL,135503-4,http://burgaz.mit.edu/PUBLICATIONS/PDF/prl-91-135503-2003.pdf,Predicting crystal structures with data mining of quantum calculations,120,13,Physical Review Letters,NULL,5,135503-1,Predicting crystal structures with data mining of quantum calculations,91,2003
  192. NULL,D. Balachandran,D. Morgan,G. Ceder,A. van de Walle,NULL,NULL,NULL,NULL,NULL,475,http://burgaz.mit.edu/PUBLICATIONS/jssc-173-462-2003.PDF,First-principles study of the structure of stoichiometric and Mn-deficient MnO<sub>2</sub>,121,2,J. of Solid State Chemistry,NULL,4,462,First-principles study of the structure of stoichiometric and Mn-deficient MnO2,173,2003
  193. NULL,B. J. Hwang,Y. W. Tsai,D. Carlier,G. Ceder,NULL,NULL,NULL,NULL,NULL,3682,http://burgaz.mit.edu/PUBLICATIONS/chemmater-15-3676-2003.PDF,A combined computational/experimental study on LiNi<sub>1/3</sub>Co<sub>1/3</sub>Mn<sub>1/3</sub>O<sub>2</sub>,122,19,Chem. Mater.,NULL,4,3676,A combined computational/experimental study on LiNi1/3Co1/3Mn1/3O2,15,2003
  194. NULL,K. Kang,D. Carlier,J. Reed,E. Arroyo,G. Ceder,L. Croguennec,C. Delmas,NULL,NULL,4507,http://burgaz.mit.edu/PUBLICATIONS/chemmater-15-4503-2003.PDF,Synthesis and Electrochemical Properties of Layered Li<sub>0.9</sub>Ni<sub>0.45</sub>Ti<sub>0.55</sub>O<sub>2</sub>,123,NULL,Chem. Mater.,NULL,7,4503,Synthesis and Electrochemical Properties of Layered Li0.9Ni0.45Ti0.55O2,15,2003
  195. NULL,D. Morgan,D. Balachandran,G. Ceder,A. van de Walle,NULL,NULL,NULL,NULL,NULL,DD.2.8.7,http://burgaz.mit.edu/PUBLICATIONS/PDF/Morgan_Mat_Res_Soc_Proc_03_MnO2_Defects.pdf,A Drastic Influence of Point Defects on Phase Stability in MnO<sub>2</sub>,124,NULL,Mat. Res. Soc. Symp. Proc.,NULL,4,DD.2.8.1,A Drastic Influence of Point Defects on Phase Stability in MnO2,755,2003
  196. NULL,D. Morgan,A. Van der Ven,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,A32,http://burgaz.mit.edu/PUBLICATIONS/PDF/essl-7-2-A30-2004.pdf,"Li Conductivity in Li<sub>x</sub>MPO<sub>4</sub> M = (Mn, Fe, Co, Ni) Olivine Materials",125,2,Electrochemical & Solid State Letters,NULL,3,A30,"Li Conductivity in LixMPO4 M = (Mn, Fe, Co, Ni) Olivine Materials",7,2004
  197. NULL,D. Carlier,L. Croguennec,G. Ceder,M. Menetrier,Y. Shao-Horn,C. Delmas,NULL,NULL,NULL,922,http://burgaz.mit.edu/PUBLICATIONS/PDF/inorgchem-43-914-2004.pdf,Structural Study of the T#2-LixCoO2 (0.52 < x < 0.72) Phase,126,NULL,Inorganic Chemistry,NULL,6,914,Structural Study of the T#2-LixCoO2 (0.52 < x < 0.72) Phase,43,2004
  198. NULL,D. Morgan,G. Ceder,S. Curtarolo,NULL,NULL,NULL,NULL,NULL,NULL,JJ9.25.6,http://burgaz.mit.edu/PUBLICATIONS/PDF/Morgan_Mat_Res_Soc_Proc_04.pdf,Data Mining Approach to Ab-Initio Prediction of Crystal Structure,127,NULL,Mat. Res. Soc. Symp. Proc.,NULL,3,JJ9.25.1,Data Mining Approach to Ab-Initio Prediction of Crystal Structure,804,2004
  199. NULL,A. Van der Ven,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,1235,http://burgaz.mit.edu/PUBLICATIONS/PDF/acta_Mar04.pdf,The thermodynamics of decohesion,128,NULL,Acta Materialia,NULL,2,1223,The thermodynamics of decohesion,52,2004
  200. NULL,Y. S. Meng,G. Ceder,W.-S Yoon,C.P. Grey,Y. Shao-Horn,NULL,NULL,NULL,NULL,A158,http://burgaz.mit.edu/PUBLICATIONS/essl-7(6)_A155_A158_2004.pdf,Understanding the Crystal Structure of Layered LiNi<sub>0.5</sub>Mn<sub>0.5</sub>O<sub>2</sub> by Electron Diffraction and Powder Diffraction Simulation,129,6,Electrochemical and Solid-State Letters,NULL,5,A155,Understanding the Crystal Structure of Layered LiNi0.5Mn0.5O2 by Electron Diffraction and Powder Diffraction Simulation,7,2004
  201. NULL,W -S. Yoon,S. Iannopollo,C.P. Grey,D. Carlier,J. Gorman,J. Reed,G. Ceder,NULL,NULL,A171,http://burgaz.mit.edu/PUBLICATIONS/PDF/essl-7(7)_A167_2004.pdf,Local Structure and Cation Ordering in O3 Lithium Nickel Manganese Oxides with Stoichiometry LiNi<sub>x</sub>Mn<sub>(2-x)/3</sub>Li<sub>(1-2x)/3</sub>O<sub>2</sub>,130,7,Electrochemical and Solid-State Letters,NULL,7,A167,Local Structure and Cation Ordering in O3 Lithium Nickel Manganese Oxides with Stoichiometry LiNixMn(2-x)/3Li(1-2x)/3O2,7,2004
  202. NULL,F. Zhou,C.A. Marianetti,M. Cococcioni,D. Morgan,G. Ceder,NULL,NULL,NULL,NULL,201101-4,http://burgaz.mit.edu/PUBLICATIONS/PDF/PRB01101.pdf,Phase separation in Li<sub>x</sub>FePO<sub>4</sub> induced by correlation effects,131,NULL,Physical Review B,NULL,5,201101-1,Phase separation in LixFePO4 induced by correlation effects,69,2004
  203. NULL,C.A. Marianetti,G. Kotliar,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,196405-4,http://burgaz.mit.edu/PUBLICATIONS/PDF/ChrisM_PRL_2004.pdf,Role of Hybridization in Na<sub>x</sub>CoO<sub>2</sub> and the Effect of Hydration,132,19,Physical Review Letters,NULL,3,196405-1,Role of Hybridization in NaxCoO2 and the Effect of Hydration,92,2004
  204. NULL,M.E. Arroyo y de Dompablo,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,12,http://burgaz.mit.edu/PUBLICATIONS/PDF/alanate.pdf,"First principles investigations of complex hydrides AMH<sub>4</sub> and A<sub>3</sub>MH<sub>6</sub> (A = Li, Na, K, M = B, Al, Ga) as hydrogen storage systems",133,NULL,Journal of Alloys and Compounds,NULL,2,6,"First principles investigations of complex hydrides AMH4 and A3MH6 (A = Li, Na, K, M = B, Al, Ga) as hydrogen storage systems",364,2004
  205. NULL,K. Kang,C. H. Chen,B. J. Hwang,G. Ceder,NULL,NULL,NULL,NULL,NULL,2690,http://pubs.acs.org/cgi-bin/article.cgi/cmatex/2004/16/i13/pdf/cm049922h.pdf,"Synthesis, Electrochemical Properties, and Phase Stability of Li<sub>2</sub>NiO<sub>2</sub> with the Immm Structure",134,13,Chemistry of Materials,NULL,4,2685,"Synthesis, Electrochemical Properties, and Phase Stability of Li2NiO2 with the Immm Structure",16,2004
  206. NULL,Y. S. Meng,Y. W. Wu,B. J. Hwang,Y. Li,G. Ceder,NULL,NULL,NULL,NULL,A1140,http://burgaz.mit.edu/PUBLICATIONS/PDF/Shirley JESA1134.pdf,Combining Ab Initio Computation with Experiments for Designing New Electrode Materials for Advanced Lithium Batteries: LiNi<sub>1/3</sub>Fe<sub>1/6</sub>Co<sub>1/6</sub>Mn<sub>1/3</sub>O<sub>2</sub>,135,8,Journal of the Electrochemical Society,NULL,5,A1134,Combining Ab Initio Computation with Experiments for Designing New Electrode Materials for Advanced Lithium Batteries: LiNi1/3Fe1/6Co1/6Mn1/3O2,151,2004
  207. NULL,B. C. Han,A. Van der Ven,D. Morgan,G. Ceder,NULL,NULL,NULL,NULL,NULL,4699,http://burgaz.mit.edu/PUBLICATIONS/PDF/phase_field.pdf,Electrochemical modeling of intercalation processes with phase field models,136,NULL,Electrochimica Acta,NULL,4,4691,Electrochemical modeling of intercalation processes with phase field models,49,2004
  208. NULL,C. P. Grey,W. -S. Yoon,J. Reed,G. Ceder,NULL,NULL,NULL,NULL,NULL,A293,http://burgaz.mit.edu/PUBLICATIONS/PDF/ESL0A290_Li_Out.pdf,Electrochemical Activity of Li in the Transition-Metal Sites of O3 Li[Li<sub>(1-2x)/3</sub>Mn<sub>(2-x)/3</sub>Ni<sub>x</sub>]O<sub>2</sub>,137,9,Electrochemical and Solid-State Letters,NULL,4,A290,Electrochemical Activity of Li in the Transition-Metal Sites of O3 Li[Li(1-2x)/3Mn(2-x)/3Nix]O2,7,2004
  209. NULL,C.A. Marianetti,G. Kotliar,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,631,http://burgaz.mit.edu/PUBLICATIONS/PDF/NatMatMott.pdf,A first order Mott transition in Li<sub>x</sub>CoO<sub>2</sub>,138,NULL,Nature Materials,NULL,3,627,A first order Mott transition in LixCoO2,3,2004
  210. NULL,Y. Wang,S. Curtarolo,C. Jiang,R. Arroyavea,T. Wang,G. Ceder,L.-Q. Chen,Z. -K. Liu,NULL,90,http://burgaz.mit.edu/PUBLICATIONS/PDF/Calphad.pdf,Ab initio lattice stability in comparison with CALPHAD lattice stability,139,NULL,Computer Coupling of Phase Diagrams and Thermochemistry,NULL,8,79,Ab initio lattice stability in comparison with CALPHAD lattice stability,28,2004
  211. NULL,F. Zhou,K. Kang,T. Maxisch,G. Ceder,D. Morgan,NULL,NULL,NULL,NULL,186,http://burgaz.mit.edu/PUBLICATIONS/PDF/Fei_Solid_State_Communication_132.pdf,The electronic structure and band gap of LiFePO<sub>4</sub> and LiMnPO<sub>4</sub>,140,NULL,Solid State Communications,NULL,5,181,The electronic structure and band gap of LiFePO4 and LiMnPO4,132,2004
  212. NULL,A. Van der Ven,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,1050,http://burgaz.mit.edu/PUBLICATIONS/PDF/flower.pdf,Ordering in Li<sub>x</sub>(Ni<sub>0.5</sub>Mn<sub>0.5</sub>)O<sub>2</sub> and its relation to charge capacity and electrochemical behavior in rechargeable lithium batteries,141,NULL,Electrochemistry Communications,NULL,2,1045,Ordering in Lix(Ni0.5Mn0.5)O2 and its relation to charge capacity and electrochemical behavior in rechargeable lithium batteries,6,2004
  213. NULL,F. Zhou,M. Cococcioni,K. Kang,G. Ceder,NULL,NULL,NULL,NULL,NULL,1148,http://burgaz.mit.edu/PUBLICATIONS/PDF/Fei_ElectrochemistryCommunication.pdf,"The Li intercalation potential of LiMPO<sub>4</sub> and LiMSiO<sub>4</sub> olivines with M = Fe, Mn, Co, Ni",142,NULL,Electrochemistry Communications,NULL,4,1144,"The Li intercalation potential of LiMPO4 and LiMSiO4 olivines with M = Fe, Mn, Co, Ni",6,2004
  214. NULL,F. Zhou,M. Cococcioni,C. A. Marianetti,D. Morgan,G. Ceder,NULL,NULL,NULL,NULL,235121-8,http://burgaz.mit.edu/PUBLICATIONS/PDF/PhysRevB_70_235121.pdf,First-principles prediction of redox potentials in transition-metal compounds with LDA + U,143,NULL,Phys. Rev. B,NULL,5,235121-1,First-principles prediction of redox potentials in transition-metal compounds with LDA + U,70,2004
  215. NULL,J. Reed,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,4533,http://burgaz.mit.edu/PUBLICATIONS/PDF/Chemical_Review_2004_5B1_5D.pdf,Role of Electronic Structure in the Susceptibility of Metastable Transition-Metal Oxide Structures to Transformation,144,10,Chemical Reviews,NULL,2,4513,Role of Electronic Structure in the Susceptibility of Metastable Transition-Metal Oxide Structures to Transformation,104,2004
  216. NULL,D. Morgan,G. Ceder,S. Curtarolo,NULL,NULL,NULL,NULL,NULL,NULL,301,http://burgaz.mit.edu/PUBLICATIONS/PDF/Morgan_Meas_Sci_Tech_04_Data_Mining_Ab_Initio.pdf,High-throughput and data mining with ab initio methods,145,NULL,Measurement Science and Technology,NULL,3,296,High-throughput and data mining with ab initio methods,16,2005
  217. NULL,A. Van der Ven,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,045901-4,http://burgaz.mit.edu/PUBLICATIONS/PDF/PhysRevLett_94_045901.pdf,First Principles Calculation of the Interdiffusion Coefficient in Binary Alloys,146,NULL,Physical Review Letters,NULL,2,045901-1,First Principles Calculation of the Interdiffusion Coefficient in Binary Alloys,94,2005
  218. NULL,A. Van der Ven,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,054102-7,http://burgaz.mit.edu/PUBLICATIONS/PDF/PhysRevB_71_054102.pdf,Vacancies in ordered and disordered binary alloys treated with the cluster expansion,147,NULL,Physical Review B,NULL,2,054102-1,Vacancies in ordered and disordered binary alloys treated with the cluster expansion,71,2005
  219. NULL,Y. S. Meng,G. Ceder,C. P. Grey,W. -S. Yoon,M. Jiang,J. Breger,Y. Shao-Horn,NULL,NULL,2394,http://burgaz.mit.edu/PUBLICATIONS/cm047779m.pdf,Cation Ordering in Layered O3 Li[Ni<sub>x</sub>Li<sub>1/3-2x/3</sub>Mn<sub>2/3-x/3</sub>]O<sub>2</sub> (0<=x<=1/2) Compounds,148,9,Chemistry of Materials,NULL,7,2386,Cation Ordering in Layered O3 Li[NixLi1/3-2x/3Mn2/3-x/3]O2 (0<=x<=1/2) Compounds,17,2005
  220. NULL,M. Cococcioni,F. Mauri,G. Ceder,N. Mazari,NULL,NULL,NULL,NULL,NULL,145501-4,http://burgaz.mit.edu/PUBLICATIONS/PDF/PRL_145501_2005.pdf,Electronic-enthalpy functional for finite systems under pressure,149,14,Physical Review Letters,NULL,4,145501-1,Electronic-enthalpy functional for finite systems under pressure,94,2005
  221. NULL,Y. W. Tsai,B. J. Hwang,G. Ceder,H. S. Sheu,D. G. Liu,J. F. Lee,NULL,NULL,NULL,3199,http://burgaz.mit.edu/PUBLICATIONS/PDF/cm048027v.pdf,In-Situ X-ray Absorption Spectroscopic Study on Variation of Electronic Transitions and Local Structure of LiNi<sub>1/3</sub>Co<sub>1/3</sub>Mn<sub>1/3</sub>O<sub>2</sub> Cathode Material during Electrochemical Cycling,150,12,Chemistry of Materials,NULL,6,3191,In-Situ X-ray Absorption Spectroscopic Study on Variation of Electronic Transitions and Local Structure of LiNi1/3Co1/3Mn1/3O2 Cathode Material during Electrochemical Cycling,17,2005
  222. NULL,D. Morgan,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,421,http://burgaz.mit.edu/PUBLICATIONS/PDF/Paper_fo.pdf,Data Mining in Materials Development,151,NULL,Handbook of Materials Modeling,NULL,2,395,Data Mining in Materials Development,NULL,2005
  223. NULL,N. Ariel,G. Ceder,D. R. Sadoway,E. A. Fitzgerald,NULL,NULL,NULL,NULL,NULL,023516-7,http://burgaz.mit.edu/PUBLICATIONS/PDF/JApplPhys_98_023516.pdf,Electrochemically controlled transport of lithium through ultrathin SiO<sub>2</sub>,152,NULL,Journal of Applied Physics,NULL,4,023516-1,Electrochemically controlled transport of lithium through ultrathin SiO2,98,2005
  224. NULL,M.E. Arroyo y de Dompablo,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,1984,http://burgaz.mit.edu/PUBLICATIONS/PDF/zc7002kap1.pdf,A first principles study of hydrogen storage in NaAlH<sub>4</sub>-related complex hydrides,153,NULL,Z. Anorg. Allg. Chem.,NULL,2,1982,A first principles study of hydrogen storage in NaAlH4-related complex hydrides,631,2005
  225. NULL,J. Breger,M. Jiang,N. Dupre,Y. S. Meng,Y. Shao-Horn,G. Ceder,C.P. Clare,NULL,NULL,2585,http://burgaz.mit.edu/PUBLICATIONS/PDF/finalDIFFAX.pdf,"High-resolution X-ray diffraction, DIFFaX, NMR and first principles study of disorder in the Li<sub>2</sub>MnO<sub>3</sub>-Li[Ni<sub>1/2</sub>Mn<sub>1/2</sub>]O<sub>2</sub> solid solution",154,NULL,Journal of Solid State Chemistry,NULL,7,2575,"High-resolution X-ray diffraction, DIFFaX, NMR and first principles study of disorder in the Li2MnO3-Li[Ni1/2Mn1/2]O2 solid solution",178,2005
  226. NULL,F. Zhou,G. Grigoryan,S.R. Lustig,A. E. Keating,G. Ceder,D. Morgan,NULL,NULL,NULL,148103-4,http://burgaz.mit.edu/PUBLICATIONS/PDF/PRL95-148103.pdf,Coarse-Graining Protein Energetics in Sequence Variables,155,NULL,Physical Review Letters,NULL,6,148103-1,Coarse-Graining Protein Energetics in Sequence Variables,95,2005
  227. NULL,S. Curtarolo,D. Morgan,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,211,http://burgaz.mit.edu/PUBLICATIONS/PDF/Calphad_80systems.pdf,Accuracy of ab initio methods in predicting the crystal structures of metals: A review of 80 binary alloys,156,NULL,Computer Coupling of Phase Diagrams and Thermochemistry,NULL,3,163,Accuracy of ab initio methods in predicting the crystal structures of metals: A review of 80 binary alloys,29,2005
  228. NULL,T. Mueller,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,17983,http://burgaz.mit.edu/PUBLICATIONS/PDF/MOF-5.pdf,A density functional theory study of hydrogen adsorption in MOF-5,157,NULL,J. Phys. Chem. B,NULL,2,17974,A density functional theory study of hydrogen adsorption in MOF-5,109,2005
  229. NULL,B.C. Han,A. Van der Ven,G. Ceder,B-J Hwang,NULL,NULL,NULL,NULL,NULL,205409-9,http://burgaz.mit.edu/PUBLICATIONS/PDF/PhysRevB_72_205409.pdf,Surface segregation and ordering of alloy surfaces in the presence of adsorbates,158,NULL,Physical Review B,NULL,4,205409-1,Surface segregation and ordering of alloy surfaces in the presence of adsorbates,72,2005
  230. NULL,Y. S. Meng,A. Van der Ven,M. K. Y. Chan,G. Ceder,NULL,NULL,NULL,NULL,NULL,172103-4,http://burgaz.mit.edu/PUBLICATIONS/PDF/PhysRevB_72_172103.pdf,Ab initio study of sodium ordering in Na<sub>0.75</sub>CoO<sub>2</sub> and its relation to Co<sup>3+</sup>/Co<sup>4+</sup> charge ordering,159,NULL,Physcial Review B,NULL,4,172103-1,Ab initio study of sodium ordering in Na0.75CoO2 and its relation to Co<sup>3+</sup>/Co<sup>4+</sup> charge ordering,72,2005
  231. NULL,M. Wagemaker,A. Van Der Ven,D. Morgan,G. Ceder,NULL,NULL,NULL,NULL,NULL,136,http://burgaz.mit.edu/PUBLICATIONS/PDF/science.pdf,Thermodynamics of spinel Li<sub>x</sub>TiO<sub>2</sub> from first principles,160,NULL,Chemical Physics,NULL,4,130,Thermodynamics of spinel LixTiO2 from first principles,317,2005
  232. NULL,M. Blangero,R. Decourt,D. Carlier,G. Ceder,M. Pollet,J-P. Doumerc,J. Darriet,C. Delmas,NULL,9304,http://burgaz.mit.edu/PUBLICATIONS/PDF/ic0514804.pdf,First Experimental Evidence of Potassium Ordering in Layered K<sub>4</sub>Co<sub>7</sub>O<sub>14</sub>,161,NULL,Inorganic Chemistry,NULL,8,9299,First Experimental Evidence of Potassium Ordering in Layered K4Co7O14,44,2005
  233. NULL,A. Van der Ven,D. Morgan,Y. S. Meng,G. Ceder,NULL,NULL,NULL,NULL,NULL,A215,http://burgaz.mit.edu/PUBLICATIONS/PDF/JES00A210.pdf,Phase stability of nickel hydroxides and oxyhydroxides,162,2,Journal of The Electrochemical Society,NULL,4,A210,Phase stability of nickel hydroxides and oxyhydroxides,153,2006
  234. NULL,K. Kang,Y.S. Meng,J. Breger,C.P. Grey,G. Ceder,NULL,NULL,NULL,NULL,980,http://burgaz.mit.edu/PUBLICATIONS/PDF/Science_2006Feb.pdf,Electrodes with high power and high capacity for rechargeable ltihium batteries,163,NULL,Science,NULL,5,977,Electrodes with high power and high capacity for rechargeable ltihium batteries,311,2006
  235. NULL,T. Maxisch,F. Zhou,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,104301-6,http://burgaz.mit.edu/PUBLICATIONS/PDF/polaron3.pdf,Ab Initio study of the migration of small polarons in olivine Li<sub>x</sub>FePO<sub>4</sub> and their association with lithium ions and vacancies,164,NULL,Physical Review B,NULL,3,104301-1,Ab Initio study of the migration of small polarons in olivine LixFePO4 and their association with lithium ions and vacancies,73,2006
  236. NULL,J. X. Zheng,G. Ceder,T. Maxisch,W. K. Chim,W. K. Choi,NULL,NULL,NULL,NULL,104101-7,http://burgaz.mit.edu/PUBLICATIONS/PDF/opr0EK3T.pdf,Native point defects in yttria and relevance to its use as a high-dielectric-constant gate oxide material: First-principles study,165,NULL,Physical Review B,NULL,5,104101-1,Native point defects in yttria and relevance to its use as a high-dielectric-constant gate oxide material: First-principles study,73,2006
  237. NULL,K. Persson,G. Ceder,D. Morgan,NULL,NULL,NULL,NULL,NULL,NULL,115201-6,http://burgaz.mit.edu/PUBLICATIONS/PDF/2006_PRB_Persson.pdf,Spin transition in the Fe<sub>x</sub>Mn<sub>1-x</sub>S<sub>2</sub> system,166,NULL,Physical Review B,NULL,3,115201-1,Spin transition in the FexMn1-xS2 system,73,2006
  238. NULL,L. Wang,T. Maxisch,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,195107-6,http://burgaz.mit.edu/PUBLICATIONS/PDF/prb_73_195107.pdf,Oxidation energies of transition metal oxides within the GGA+U framework,167,NULL,Physical Review B,NULL,3,195107-1,Oxidation energies of transition metal oxides within the GGA+U framework,73,2006
  239. NULL,T. Maxisch,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,174112-4,http://burgaz.mit.edu/PUBLICATIONS/PDF/opr0GR21.pdf,Elastic properties of olivine Li<sub>x</sub>FePO<sub>4</sub> from first principles,168,NULL,Physical Review B,NULL,2,174112-1,Elastic properties of olivine LixFePO4 from first principles,73,2006
  240. NULL,G. Grigoryan,F. Zhou,S. R. Lustig,G. Ceder,D. Morgan,A. E. Keating,NULL,NULL,NULL,e63-0013,http://burgaz.mit.edu/PUBLICATIONS/PDF/10.1371_journal.pcbi.0020063-L.pdf,Ultra-fast evaluation of protein energies directly from sequence,169,6,PLoS Computational Biology,NULL,6,e63-0001,Ultra-fast evaluation of protein energies directly from sequence,2,2006
  241. NULL,H. Xia,L. Lu,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,310,http://burgaz.mit.edu/PUBLICATIONS/PDF/JAC.pdf,Substrate effect on the microstructure and electrochemical properties of LiCoO<sub>2</sub> thin films grown by PLD,170,NULL,Journal of Alloys and Compounds,NULL,3,304,Substrate effect on the microstructure and electrochemical properties of LiCoO2 thin films grown by PLD,417,2006
  242. NULL,C. C. Fischer,K. J. Tibbetts,D. Morgan,G. Ceder,NULL,NULL,NULL,NULL,NULL,646,http://burgaz.mit.edu/PUBLICATIONS/PDF/nmat_10_1038_nmat1691.pdf,Predicting crystal structure by merging data mining with quantum mechanics,171,8,Nature Materials,NULL,4,641,Predicting crystal structure by merging data mining with quantum mechanics,5,2006
  243. NULL,J. Breger,Y. S. Meng,Y. Hinuma,S. Kumar,K. Kang,Y. Shao-Horn,G. Ceder,C. P. Grey,NULL,4781,http://burgaz.mit.edu/PUBLICATIONS/PDF/cm060886r.pdf,Effect of high voltage on the structure and electrochemistry of LiNi<sub>0.5</sub>Mn<sub>0.5</sub>O<sub>2</sub>: A joint experimental and theoretical study,172,NULL,Chemistry of Materials,NULL,8,4768,Effect of high voltage on the structure and electrochemistry of LiNi0.5Mn0.5O2: A joint experimental and theoretical study,18,2006
  244. NULL,K. Persson,A. Bengtson,G. Ceder,D. Morgan,NULL,NULL,NULL,NULL,NULL,L16306-5,http://burgaz.mit.edu/PUBLICATIONS/PDF/GRL_MgFeO.pdf,"Ab Initio study of the composition depedence of the pressure-induced spin transition in the Mg<sub>1-x</sub>,Fe<sub>x</sub>O system",173,16,Geophysical Research Letters,NULL,4,L16306-1,"Ab Initio study of the composition depedence of the pressure-induced spin transition in the Mg1-x,FexO system",33,2006
  245. NULL,K. Kang,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,094105-7,http://burgaz.mit.edu/PUBLICATIONS/published.pdf,Factors that affect Li mobility in layered lithium transition metal oxides,174,9,Physical Review B,NULL,2,094105-1,Factors that affect Li mobility in layered lithium transition metal oxides,74,2006
  246. NULL,H. Xia,L. Lu,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,1427,http://burgaz.mit.edu/PUBLICATIONS/PDF/JPS.pdf,Li diffusion in LiCoO<sub>2</sub> thin films prepared by pulsed laser deposition,175,NULL,Journal of Power Sources,NULL,3,1422,Li diffusion in LiCoO2 thin films prepared by pulsed laser deposition,159,2006
  247. NULL,T. Mueller,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,134104-7,http://burgaz.mit.edu/PUBLICATIONS/PDF/PRB74_134104.pdf,Effective interactions between the N-H bond orientations in lithium imide and a proposed ground-state structure,176,NULL,Physical Review B,NULL,2,134104-1,Effective interactions between the N-H bond orientations in lithium imide and a proposed ground-state structure,74,2006
  248. NULL,F. Zhou,T. Maxisch,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,155704-4,http://burgaz.mit.edu/PUBLICATIONS/PDF/PRL97_155704.pdf,Configurational electronic entropy and the phase diagram of mixed-valence oxides: the case of Li<sub>x</sub>FePO<sub>4</sub>,177,NULL,Physical Review Letters,NULL,3,155704-1,Configurational electronic entropy and the phase diagram of mixed-valence oxides: the case of LixFePO4,97,2006
  249. NULL,E. Levi,E. Lancry,A. Mitelman,D. Aurbach,G. Ceder,D. Morgan,O. Isnard,NULL,NULL,12,http://burgaz.mit.edu/PUBLICATIONS/PDF/cm061656f.pdf,"Phase diagram of Mg insertion into Chevrel phases, Mg<sub>x</sub>Mo<sub>6</sub>T<sub>8</sub> (T=S, Se). 1. Crystal structure of sulfides",178,NULL,Chemistry of Materials,NULL,7,1,"Phase diagram of Mg insertion into Chevrel phases, MgxMo6T8 (T=S, Se). 1. Crystal structure of sulfides",NULL,2006
  250. NULL,J. Hafner,C. Wolverton,G. Ceder,Guest Editors,NULL,NULL,NULL,NULL,NULL,668,http://burgaz.mit.edu/PUBLICATIONS/PDF/Intro.pdf,Toward computational materials design: the impact of density functional theory on materials research,179,September,MRS Bulletin,NULL,4,659,Toward computational materials design: the impact of density functional theory on materials research,31,2006
  251. NULL,SK. Hu,TC. Chou,BJ. Huang,G. Ceder,NULL,NULL,NULL,NULL,NULL,1293,http://burgaz.mit.edu/PUBLICATIONS/PDF/sdarticle-13.pdf,Effect of Co content on performance of LiAl<sub>1/3-x</sub>Ni<sub>1/3</sub>Mn<sub>1/3</sub>O<sub>2</sub> compounds for lithium-ion batteries,180,NULL,Journal of Power Sources,NULL,4,1287,Effect of Co content on performance of LiAl1/3-xNi1/3Mn1/3O2 compounds for lithium-ion batteries,160,2006
  252. NULL,B.C. Han,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,205418-8,http://burgaz.mit.edu/PUBLICATIONS/PDF/PhysRevB_74_205418.pdf,Effect of coadsorption and Ru alloying on the adsorption of CO on Pt,181,NULL,Physical Review B,NULL,2,205418-1,Effect of coadsorption and Ru alloying on the adsorption of CO on Pt,74,2006
  253. NULL,H. Xia,S.B. Tang,L. Lu,Y.S. Meng,G. Ceder,NULL,NULL,NULL,NULL,1126,http://burgaz.mit.edu/PUBLICATIONS/PDF/EA.pdf,The influence of preparation conditions on electrochemical properties of LiNi<sub>0.5</sub>Mn<sub>1.5</sub>O<sub>4</sub> thin film electrodes by PLD,182,NULL,Electrochimica Acta,NULL,5,1120,The influence of preparation conditions on electrochemical properties of LiNi0.5Mn1.5O4 thin film electrodes by PLD,52,2006
  254. NULL,G. Ceder,D. Morgan,C. Fischer,K. Tibbetts,S. Curtarolo,NULL,NULL,NULL,NULL,985,http://burgaz.mit.edu/PUBLICATIONS/PDF/MRS_Data_mining.pdf,Data-mining-driven Quantum Mechanics for the prediction of structure,183,NULL,MRS Bulletin,NULL,5,981,Data-mining-driven Quantum Mechanics for the prediction of structure,31,2006
  255. NULL,L. Wang,T. Maxisch,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,552,http://burgaz.mit.edu/PUBLICATIONS/PDF/cm0620943.pdf,A first-principles approach to study the thermal stability of oxide cathode materials,184,3,Chemistry of Materials,NULL,3,543,A first-principles approach to study the thermal stability of oxide cathode materials,19,2007
  256. NULL,H. Xia,L. Lu,Y. S. Meng,G. Ceder,NULL,NULL,NULL,NULL,NULL,A342,http://burgaz.mit.edu/PUBLICATIONS/PDF/JES-Xia.pdf,Phase Transitions and High-Voltage Electrochemical Behavior of LiCoO<sub>2</sub> Thin Films Grown by Pulsed Laser Deposition,185,4,Journal of The Electrochemical Society,NULL,4,A337,Phase Transitions and High-Voltage Electrochemical Behavior of LiCoO2 Thin Films Grown by Pulsed Laser Deposition,154,2007
  257. NULL,Y. Hinuma,Y. S. Meng,K. Kang,G. Ceder,NULL,NULL,NULL,NULL,NULL,1800,http://burgaz.mit.edu/PUBLICATIONS/PDF/cm062903i.pdf,Phase Transitions in the LiNi<sub>0.5</sub>Mn<sub>0.5</sub>O<sub>2</sub> System with Temperature,186,7,Chemistry of Materials,NULL,4,1790,Phase Transitions in the LiNi0.5Mn0.5O2 System with Temperature,19,2007
  258. NULL,C. R. Miranda,G. Ceder,NULL,NULL,NULL,NULL,NULL,NULL,NULL,184703-11,http://burgaz.mit.edu/PUBLICATIONS/PDF/JChemPhys_126_184703.pdf,Ab Initio investigation of ammonia-borane complexes for hydrogen storage,187,NULL,Journal of Chemical Physics,NULL,2,184703-1,Ab Initio investigation of ammonia-borane complexes for hydrogen storage,126,2007
  259. NULL,J.X. Zheng,G. Ceder,T. Maxisch,W.K. Chim,W.K. Choi,NULL,NULL,NULL,NULL,104112-7,http://burgaz.mit.edu/PUBLICATIONS/PDF/Azheng.pdf,First-principles study of native point defects in hafnia and zirconia,188,NULL,Physical Review B,NULL,5,104112-1,First-principles study of native point defects in hafnia and zirconia,75,2007
  260. NULL,H. Xia,Y.S.Meng,L. Lu,G. Ceder,NULL,NULL,NULL,NULL,NULL,A743,http://burgaz.mit.edu/PUBLICATIONS/PDF/JES_154(8)_A737.pdf,Electrochemical Properties of Nonstoichiometric LiNi<sub>0.5</sub>Mn<sub>1.5</sub>O<sub>4-d</sub> Thin-Film Electrode Prepared by Pulsed Laser Deposition,189,8,Journal of The Electrochemical Society,NULL,4,A737,Electrochemical Properties of Nonstoichiometric LiNi0.5Mn1.5O4-d Thin-Film Electrode Prepared by Pulsed Laser Deposition,154,2007
  261. "The local environment and short-range ordering of Li(Ni0.5Mn0.5)O2, a potential Li-ion battery
  262. positive electrode material obtained via an ion-exchange route from Na(Ni0.5Mn0.5)O2, were
  263. investigated by using a combination of 6Li Magic Angle Spinning (MAS) NMR spectroscopy and
  264. neutron Pair Distribution Function (PDF) analysis, associated with Reverse Monte Carlo (RMC)
  265. calculations. 6Li MAS NMR experiments on Li(Ni0.5Mn0.5)O2 showed that there are almost no Li
  266. ions in the transition metal layers. Neutron diffraction data for the precursor Na(Ni0.5Mn0.5)O2
  267. indicated that there is no Na/Ni disorder and that the material is perfectly layered. Neutron PDF
  268. analysis of Li(Ni0.5Mn0.5)O2 and Na(Ni0.5Mn0.5)O2 revealed differences in the local transition
  269. metal arrangements between those present in the ion-exchanged material and its precursor, and
  270. those found in the cathode material synthesized directly from hydroxide starting materials. Large
  271. clusters of 3456 atoms were built to investigate cation ordering. Reverse Monte Carlo results, for
  272. both the Na and Li-containing compounds, showed a non-random distribution of Ni and Mn
  273. cations in the transition metal layers: in the first coordination shell, Ni atoms are on average close
  274. to more Mn ions than predicted based on a random distribution of these ions in the transition
  275. metal layers. Analysis of the number of Ni/Ni, Mn/Mn and Ni/Mn pairs in the second
  276. coordination shell revealed that the Ni and Mn cations show a clear preference for ordering in
  277. zigzags rather than in chains.
  278.  
  279. ",J. Breger,K. Kang,J. Cabana,G. Ceder,C.P. Grey,NULL,NULL,NULL,NULL,3174,http://burgaz.mit.edu/PUBLICATIONS/PDF/JMaterChem_17_2007.pdf,"NMR, PDF and RMC study of the positive electrode material Li(Ni<sub>0.5</sub>Mn<sub>0.5</sub>)O<sub>2</sub> synthesized by ion-exchange methods",190,NULL,J. Mater. Chem.,NULL,5,3167,"NMR, PDF and RMC study of the positive electrode material Li(Ni05Mn05)O2 synthesized by ion-exchange methods",17,2007
  280. NULL,L. Wang,F. Zhou,Y. S. Meng,G. Ceder,NULL,NULL,NULL,NULL,NULL,165435-11,http://burgaz.mit.edu/PUBLICATIONS/PDF/prb_76_165435.pdf,"First-principles study of surface properties of LiFePO<sub>4</sub>: Surface energy, structure, Wulff shape, and surface redox potential",191,NULL,Physical Review B,NULL,4,165435-1,"First-principles study of surface properties of LiFePO4: Surface energy, structure, Wulff shape, and surface redox potential",76,2007
  281. NULL,X. Ma,K. Kang,G. Ceder,Y.S. Meng,NULL,NULL,NULL,NULL,NULL,555,http://burgaz.mit.edu/PUBLICATIONS/PDF/Xiaohua_JPS_2007.pdf,Synthesis and electrochemical properties of layered LiNi<sub>2/3</sub>Sb<sub>1/3</sub>O<sub>2</sub>,192,1,J. Power Sources,NULL,4,550,Synthesis and electrochemical properties of layered LiNi2/3Sb1/3O2,173,2007
  282. NULL,K. Tibbetts,C.R. Miranda,Y.S. Meng,G. Ceder,NULL,NULL,NULL,NULL,NULL,5308,http://burgaz.mit.edu/PUBLICATIONS/PDF/Tibbetts_ChemMater_2007.pdf,An Ab Initio Study of Lithium Diffusion in Titanium Disulfide Nanotubes,193,22,Chem. Mater.,NULL,4,5302,An Ab Initio Study of Lithium Diffusion in Titanium Disulfide Nanotubes,19,2007
  283. abstract,author,filename,formattitle,id,keywords,title,type,year
  284. NULL,G. Garbulsky,http://burgaz.mit.edu/PUBLICATIONS/THESIS/garbulsky_thesis.pdf,Ground-state structures and vibrational free energy in first-principles models of substitutional-alloy thermodynamics,1,NULL,Ground-state structures and vibrational free energy in first-principles models of substitutional-alloy thermodynamics,Ph.D. Thesis,1996
  285. NULL,P.D. Tepesch,http://burgaz.mit.edu/PUBLICATIONS/THESIS/Thesis_Tepesch.pdf,"Atomistic Modeling of Ceramic Materials: Predicting Crystal Structures, Thermodynamic Properties, and Diffusion Behavior",2,NULL,"Atomistic Modeling of Ceramic Materials: Predicting Crystal Structures, Thermodynamic Properties, and Diffusion Behavior",Ph.D. Thesis,1996
  286. NULL,A. F. Kohan,http://burgaz.mit.edu/PUBLICATIONS/THESIS/kohan_thesis.pdf,Total-energy models for phase-stability studies in multicomponent oxides,3,NULL,Total-energy models for phase-stability studies in multicomponent oxides,Ph.D. Thesis,1997
  287. NULL,S. Buta,http://burgaz.mit.edu/PUBLICATIONS/THESIS/buta_thesis.pdf,A First Principles investigation of Transitional Metal doping in Lithium Battery Cathode Materials,4,NULL,A First Principles investigation of Transitional Metal doping in Lithium Battery Cathode Materials,Masters Thesis,1999
  288. NULL,A. Van der Ven,http://burgaz.mit.edu/PUBLICATIONS/THESIS/vanderven_thesis.pdf,First Principles Investigation of Thermodynamic and Kinetic Properties of Lithium Transition Metal Oxides,5,NULL,First Principles Investigation of Thermodynamic and Kinetic Properties of Lithium Transition Metal Oxides,Ph.D. Thesis,2000
  289. NULL,A. van de Walle,http://burgaz.mit.edu/PUBLICATIONS/THESIS/vandewalle_thesis.pdf,The Effect of Lattice Vibrations on Substitutional Alloy Thermodynamics,6,NULL,The Effect of Lattice Vibrations on Substitutional Alloy Thermodynamics,Ph.D. Thesis,2000
  290. NULL,D. Balachandran,http://burgaz.mit.edu/PUBLICATIONS/THESIS/dinesh_thesis.pdf,"First Principles Study of Structure, Defects and Proton Insertion in MnO<sub>2</sub>",7,NULL,"First Principles Study of Structure, Defects and Proton Insertion in MnO2",Masters Thesis,2001
  291. NULL,E. J. Wu,http://burgaz.mit.edu/PUBLICATIONS/THESIS/wu_thesis.pdf,Applications of lattice dynamics theory: Calculating vibrational entropy in alloys and dielectric losses in ceramics,8,NULL,Applications of lattice dynamics theory: Calculating vibrational entropy in alloys and dielectric losses in ceramics,Ph.D. Thesis,2002
  292. NULL,S. Curtarolo,http://burgaz.mit.edu/PUBLICATIONS/THESIS/stefano.pdf,Coarse-Graining and Data Mining Approaches to the Prediction of Structures and their Dynamics,9,NULL,Coarse-Graining and Data Mining Approaches to the Prediction of Structures and their Dynamics,Ph.D. Thesis,2003
  293. NULL,J. Reed,http://burgaz.mit.edu/PUBLICATIONS/THESIS/jreed.pdf,Ab Initio Study of Cathode Materials for Lithium Batteries,10,NULL,Ab Initio Study of Cathode Materials for Lithium Batteries,Ph.D. Thesis,2003
  294. NULL,Chris A Marianetti,http://burgaz.mit.edu/PUBLICATIONS/THESIS/Chris_thesis_final_final.pdf,Electronic Correlations in Li<sub>x</sub>CoO<sub>2</sub>,11,NULL,Electronic Correlations in LixCoO2,Ph.D. Thesis,2004
  295. NULL,Y. S. Meng,http://burgaz.mit.edu/PUBLICATIONS/THESIS/YSMENG_THESIS.pdf,Combining Ab Initio Computation with Experiments for Designing/Understanding High Energy Density Electrode Materials for Advanced Lithium Batteries,12,NULL,Combining Ab Initio Computation with Experiments for Designing/Understanding High Energy Density Electrode Materials for Advanced Lithium Batteries,Ph.D. Thesis,2005
  296. NULL,A. P. Predith,http://burgaz.mit.edu/PUBLICATIONS/THESIS/Predith_thesis_final.pdf,Computational Studies of Cation and Anion Ordering in Cubic Yttria Stabilized Zirconia,13,NULL,Computational Studies of Cation and Anion Ordering in Cubic Yttria Stabilized Zirconia,Ph.D. Thesis,2006
  297. NULL,K. Kang,http://burgaz.mit.edu/PUBLICATIONS/THESIS/Final_draft.pdf,Designing New Electrode Materials for Energy Devices by Integrating Ab Initio Computations with Experiments,14,NULL,Designing New Electrode Materials for Energy Devices by Integrating Ab Initio Computations with Experiments,Ph.D. Thesis,2006
  298. NULL,F. Zhou,http://burgaz.mit.edu/PUBLICATIONS/THESIS/fzhou_thesis.pdf,Models for transition metal oxides and for protein design,15,NULL,Models for transition metal oxides and for protein design,Ph.D. Thesis,2006
  299. NULL,C. Fischer,http://burgaz.mit.edu/PUBLICATIONS/THESIS/Christopher_Fischer_Thesis.pdf,A Machine Learning Approach to Crystal Structure Prediction,16,NULL,A Machine Learning Approach to Crystal Structure Prediction,Ph.D. Thesis,2007
  300. NULL,T. Mueller,http://burgaz.mit.edu/PUBLICATIONS/THESIS/Tim_Mueller_Thesis.pdf,Computational Studies of Hydrogen Storage Materials and the Development of Related Methods,17,NULL,Computational Studies of Hydrogen Storage Materials and the Development of Related Methods,Ph.D. Thesis,2007
  301. NULL,O. B. Okan,http://burgaz.mit.edu/PUBLICATIONS/THESIS/OBO_Msc_Thesis_2008.pdf,Merging Quadratic Programming with Kernel Smoothing for Automated Cluster Expansions of Complex Lattice Hamiltonians,18,NULL,Merging Quadratic Programming with Kernel Smoothing for Automated Cluster Expansions of Complex Lattice Hamiltonians,Masters Thesis,2008
  302. NULL,Y. Hinuma ,http://burgaz.mit.edu/PUBLICATIONS/THESIS/Yoyo_Hinuma_Thesis.pdf,Computational Structure Analysis of Multicomponent Oxides,19,NULL,Computational Structure Analysis of Multicomponent Oxides,Ph.D. Thesis,2008
  303. NULL,B. Han,http://burgaz.mit.edu/PUBLICATIONS/THESIS/BCHan_Thesis_Final.pdf,First Principles Study of Effect of Surface Structure on Chemical Activity of Pt Electrocatalysts in Fuel Cells,20,NULL,First Principles Study of Effect of Surface Structure on Chemical Activity of Pt Electrocatalysts in Fuel Cells,Ph.D. Thesis,2008
  304. NULL,M. Chan,http://burgaz.mit.edu/PUBLICATIONS/THESIS/Maria_Chan_Thesis.pdf,Atomistic and Ab Initio Prediction and Optimization of Thermoelectric and Photovoltaic Properties,21,NULL,Atomistic and Ab Initio Prediction and Optimization of Thermoelectric and Photovoltaic Properties,Ph.D. Thesis,2009
  305. NULL,L. Wang,http://burgaz.mit.edu/PUBLICATIONS/THESIS/Lei_Wang_Thesis.pdf,First-Principles Modeling of Thermal Stability and Morphology Control of Cathode Materials in Li-Ion Batteries,22,NULL,First-Principles Modeling of Thermal Stability and Morphology Control of Cathode Materials in Li-Ion Batteries,Ph.D. Thesis,2009
  306. NULL,S.P. Ong,http://burgaz.mit.edu/PUBLICATIONS/THESIS/Shyue_Ping_Ong_Thesis.pdf,First Principles Design and Investigation of Lithium-Ion Battery Cathodes and Electrolytes,24,NULL,First Principles Design and Investigation of Lithium-Ion Battery Cathodes and Electrolytes,Ph.D. Thesis,2011
  307. NULL,X. Ma,http://burgaz.mit.edu/PUBLICATIONS/THESIS/Xiaohua_thesis.pdf,Understanding and Designing High Power and High Energy Density Cathode Materials for Lithium Ion Batteries by Experiments and First Principles Computations,25,NULL,Understanding and Designing High Power and High Energy Density Cathode Materials for Lithium Ion Batteries by Experiments and First Principles Computations,Ph.D. Thesis,2011
  308. NULL,G. Hautier,http://burgaz.mit.edu/PUBLICATIONS/THESIS/Geoffroy_Hautier_thesis.pdf,High-Throughput Data Mined Prediction of
  309. Inorganic Compounds and Computational Discovery
  310. of New Lithium-Ion Battery Cathode Materials,26,NULL,High-Throughput Data Mined Prediction of
  311. Inorganic Compounds and Computational Discovery
  312. of New Lithium-Ion Battery Cathode Materials,Ph.D. Thesis,2011
  313. NULL,C. Moore,http://burgaz.mit.edu/PUBLICATIONS/THESIS/Charles_Moore_masters_thesis.pdf,Ab Initio Screening of Lithium Diffusion Rates
  314. in Transition Metal Oxide Cathodes
  315. for Lithium Ion Batteries,27,NULL,Ab Initio Screening of Lithium Diffusion Rates
  316. in Transition Metal Oxide Cathodes
  317. for Lithium Ion Batteries,Masters Thesis,2012
  318.  
  319.  
  320. | NULL | G. Garbulsky | http://burgaz.mit.edu/PUBLICATIONS/THESIS/garbulsky_thesis.pdf | Ground-state structures and vibrational free energy in first-principles models of substitutional-alloy thermodynamics | 1 | NULL | Ground-state structures and vibrational free energy in first-principles models of substitutional-alloy thermodynamics | Ph.D. Thesis | 1996 |
  321. | NULL | P.D. Tepesch | http://burgaz.mit.edu/PUBLICATIONS/THESIS/Thesis_Tepesch.pdf | Atomistic Modeling of Ceramic Materials: Predicting Crystal Structures, Thermodynamic Properties, and Diffusion Behavior | 2 | NULL | Atomistic Modeling of Ceramic Materials: Predicting Crystal Structures, Thermodynamic Properties, and Diffusion Behavior | Ph.D. Thesis | 1996 |
  322. | NULL | A. F. Kohan | http://burgaz.mit.edu/PUBLICATIONS/THESIS/kohan_thesis.pdf | Total-energy models for phase-stability studies in multicomponent oxides | 3 | NULL | Total-energy models for phase-stability studies in multicomponent oxides | Ph.D. Thesis | 1997 |
  323. | NULL | S. Buta | http://burgaz.mit.edu/PUBLICATIONS/THESIS/buta_thesis.pdf | A First Principles investigation of Transitional Metal doping in Lithium Battery Cathode Materials | 4 | NULL | A First Principles investigation of Transitional Metal doping in Lithium Battery Cathode Materials | Masters Thesis | 1999 |
  324. | NULL | A. Van der Ven | http://burgaz.mit.edu/PUBLICATIONS/THESIS/vanderven_thesis.pdf | First Principles Investigation of Thermodynamic and Kinetic Properties of Lithium Transition Metal Oxides | 5 | NULL | First Principles Investigation of Thermodynamic and Kinetic Properties of Lithium Transition Metal Oxides | Ph.D. Thesis | 2000 |
  325. | NULL | A. van de Walle | http://burgaz.mit.edu/PUBLICATIONS/THESIS/vandewalle_thesis.pdf | The Effect of Lattice Vibrations on Substitutional Alloy Thermodynamics | 6 | NULL | The Effect of Lattice Vibrations on Substitutional Alloy Thermodynamics | Ph.D. Thesis | 2000 |
  326. | NULL | D. Balachandran | http://burgaz.mit.edu/PUBLICATIONS/THESIS/dinesh_thesis.pdf | First Principles Study of Structure, Defects and Proton Insertion in MnO<sub>2</sub> | 7 | NULL | First Principles Study of Structure, Defects and Proton Insertion in MnO2 | Masters Thesis | 2001 |
  327. | NULL | E. J. Wu | http://burgaz.mit.edu/PUBLICATIONS/THESIS/wu_thesis.pdf | Applications of lattice dynamics theory: Calculating vibrational entropy in alloys and dielectric losses in ceramics | 8 | NULL | Applications of lattice dynamics theory: Calculating vibrational entropy in alloys and dielectric losses in ceramics | Ph.D. Thesis | 2002 |
  328. | NULL | S. Curtarolo | http://burgaz.mit.edu/PUBLICATIONS/THESIS/stefano.pdf | Coarse-Graining and Data Mining Approaches to the Prediction of Structures and their Dynamics | 9 | NULL | Coarse-Graining and Data Mining Approaches to the Prediction of Structures and their Dynamics | Ph.D. Thesis | 2003 |
  329. | NULL | J. Reed | http://burgaz.mit.edu/PUBLICATIONS/THESIS/jreed.pdf | Ab Initio Study of Cathode Materials for Lithium Batteries | 10 | NULL | Ab Initio Study of Cathode Materials for Lithium Batteries | Ph.D. Thesis | 2003 |
  330. | NULL | Chris A Marianetti | http://burgaz.mit.edu/PUBLICATIONS/THESIS/Chris_thesis_final_final.pdf | Electronic Correlations in Li<sub>x</sub>CoO<sub>2</sub> | 11 | NULL | Electronic Correlations in LixCoO2 | Ph.D. Thesis | 2004 |
  331. | NULL | Y. S. Meng | http://burgaz.mit.edu/PUBLICATIONS/THESIS/YSMENG_THESIS.pdf | Combining Ab Initio Computation with Experiments for Designing/Understanding High Energy Density Electrode Materials for Advanced Lithium Batteries | 12 | NULL | Combining Ab Initio Computation with Experiments for Designing/Understanding High Energy Density Electrode Materials for Advanced Lithium Batteries | Ph.D. Thesis | 2005 |
  332. | NULL | A. P. Predith | http://burgaz.mit.edu/PUBLICATIONS/THESIS/Predith_thesis_final.pdf | Computational Studies of Cation and Anion Ordering in Cubic Yttria Stabilized Zirconia | 13 | NULL | Computational Studies of Cation and Anion Ordering in Cubic Yttria Stabilized Zirconia | Ph.D. Thesis | 2006 |
  333. | NULL | K. Kang | http://burgaz.mit.edu/PUBLICATIONS/THESIS/Final_draft.pdf | Designing New Electrode Materials for Energy Devices by Integrating Ab Initio Computations with Experiments | 14 | NULL | Designing New Electrode Materials for Energy Devices by Integrating Ab Initio Computations with Experiments | Ph.D. Thesis | 2006 |
  334. | NULL | F. Zhou | http://burgaz.mit.edu/PUBLICATIONS/THESIS/fzhou_thesis.pdf | Models for transition metal oxides and for protein design | 15 | NULL | Models for transition metal oxides and for protein design | Ph.D. Thesis | 2006 |
  335. | NULL | C. Fischer | http://burgaz.mit.edu/PUBLICATIONS/THESIS/Christopher_Fischer_Thesis.pdf | A Machine Learning Approach to Crystal Structure Prediction | 16 | NULL | A Machine Learning Approach to Crystal Structure Prediction | Ph.D. Thesis | 2007 |
  336. | NULL | T. Mueller | http://burgaz.mit.edu/PUBLICATIONS/THESIS/Tim_Mueller_Thesis.pdf | Computational Studies of Hydrogen Storage Materials and the Development of Related Methods | 17 | NULL | Computational Studies of Hydrogen Storage Materials and the Development of Related Methods | Ph.D. Thesis | 2007 |
  337. | NULL | O. B. Okan | http://burgaz.mit.edu/PUBLICATIONS/THESIS/OBO_Msc_Thesis_2008.pdf | Merging Quadratic Programming with Kernel Smoothing for Automated Cluster Expansions of Complex Lattice Hamiltonians | 18 | NULL | Merging Quadratic Programming with Kernel Smoothing for Automated Cluster Expansions of Complex Lattice Hamiltonians | Masters Thesis | 2008 |
  338. | NULL | Y. Hinuma | http://burgaz.mit.edu/PUBLICATIONS/THESIS/Yoyo_Hinuma_Thesis.pdf | Computational Structure Analysis of Multicomponent Oxides | 19 | NULL | Computational Structure Analysis of Multicomponent Oxides | Ph.D. Thesis | 2008 |
  339. | NULL | B. Han | http://burgaz.mit.edu/PUBLICATIONS/THESIS/BCHan_Thesis_Final.pdf | First Principles Study of Effect of Surface Structure on Chemical Activity of Pt Electrocatalysts in Fuel Cells | 20 | NULL | First Principles Study of Effect of Surface Structure on Chemical Activity of Pt Electrocatalysts in Fuel Cells | Ph.D. Thesis | 2008 |
  340. | NULL | M. Chan | http://burgaz.mit.edu/PUBLICATIONS/THESIS/Maria_Chan_Thesis.pdf | Atomistic and Ab Initio Prediction and Optimization of Thermoelectric and Photovoltaic Properties | 21 | NULL | Atomistic and Ab Initio Prediction and Optimization of Thermoelectric and Photovoltaic Properties | Ph.D. Thesis | 2009 |
  341. | NULL | L. Wang | http://burgaz.mit.edu/PUBLICATIONS/THESIS/Lei_Wang_Thesis.pdf | First-Principles Modeling of Thermal Stability and Morphology Control of Cathode Materials in Li-Ion Batteries | 22 | NULL | First-Principles Modeling of Thermal Stability and Morphology Control of Cathode Materials in Li-Ion Batteries | Ph.D. Thesis | 2009 |
  342. | NULL | S.P. Ong | http://burgaz.mit.edu/PUBLICATIONS/THESIS/Shyue_Ping_Ong_Thesis.pdf | First Principles Design and Investigation of Lithium-Ion Battery Cathodes and Electrolytes | 24 | NULL | First Principles Design and Investigation of Lithium-Ion Battery Cathodes and Electrolytes | Ph.D. Thesis | 2011 |
  343. | NULL | X. Ma | http://burgaz.mit.edu/PUBLICATIONS/THESIS/Xiaohua_thesis.pdf | Understanding and Designing High Power and High Energy Density Cathode Materials for Lithium Ion Batteries by Experiments and First Principles Computations | 25 | NULL | Understanding and Designing High Power and High Energy Density Cathode Materials for Lithium Ion Batteries by Experiments and First Principles Computations | Ph.D. Thesis | 2011 |
  344. | NULL | G. Hautier | http://burgaz.mit.edu/PUBLICATIONS/THESIS/Geofof New Lithium-Ion Battery Cathode Materials | 26 | NULL of New Lithium-Ion Battery Cathode Materials | Ph.D. Thesis | 2011 |
  345. | NULL | C. Moore | http://burgaz.mit.edu/PUBLICATIONS/THESIS/Charfor Lithium Ion Batteries | 27 |for Lithium Ion Batteries | Masters Thesis | 2012 |
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