A molecular approach to understanding complex systems: Computational statistical mechanics using state-of-the-art algorithms on terascale computational platforms

Journal of Physics: Conference Series

Volumn 125, Issue , 2008, Pages

  Mundy, C J ^a   Rousseau, R ^a   Curioni, A ^b   Kathmann, S M ^a   Schenter, G K ^a  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^b IBM RESEARCH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 65549103012     PISSN: 17426588     EISSN: 17426596     Source Type: Conference Proceeding    
DOI: 10.1088/1742-6596/125/1/012014     Document Type: Article

References (25)

1. Kuo I F W and Mundy C J 2004 Science 303 658
2. Bernal J D and Fowler R H 1933 J. Chem. Phys. 1 515
3. Barker J A and Watts R O 1969 Chem. Phys. Lett. 3 144
4. Rahman A, Stillinger F H 1971 J. Chem. Phys. 55 3336
5. Popkie H and Kistenma H and Clementi E 1973 J. Chem. Phys. 59 1325
6. Car R and Parrinello M 1985 Phys. Rev. Lett. 55 2471
7. McGrath M J, Siepmann J I, Kuo I F W and Mundy C J 2006 Molecular Phys. 104 3619
8. McGrath M J, Siepmann J I, Kuo I F W, Mundy C J VandeVondele J, Hutter J, Mohamed F and Krack M 2006 J. Phys. Chem. A 110 640
9. Mundy C J, Curioni A, Goldman N, Kuo I F W, Reed E J, Fried L E and Ianuzzi M 2008 J. Chem. Phys. 128
10. Mundy C J and Kuo I F W 2006 Chem. Reviews 106 1282
11. Wallqvist A and Berne B J 1993 J. Phys. Chem. 97 13841
12. Laio A and Parrinello M 2002 Proc. National Academy Sci. USA 99 12562
13. Hutter J and Curioni A 2005 Parallel Computing 31
14. VandeVondele J and Hutter J 2003 J. Chem. Phys. 118 4365
15. VandeVondele J, Krack M, Mohamed F, Parrinello M, Chassaing T and Hutter J 2005 Comput. Phys. Comm. 167 103
16. Ghosal S, Hemminger J C, Bluhm H, Mun B S, Hebenstreit E L D, Ketteler G, Ogletree D F, Requejo F G and Salmeron M 2005 Science 307 563
17. Jungwirth P and Tobias D J 2001 J. Phys. Chem. B 105 10468
18. Petersen P B, Saykally R J, Mucha M and Jungwirth P 2005 J. Phys. Chem. B 109 10915
19. Tarbuck, T L; Richmond, G L J. American Chem. Society 127 16806
20. Petersen P B and Saykally R J 2008 Chem. Phys. Lett. 458 255
21. Beattie J K 2008 Phys. Chem. Chem. Phys. 10 330
22. Vacha R, Buch V, Milet A, Devlin J P and Jungwirth P 2008 Phys. Chem. Chem. Phys. 10 332
23. Vacha R, Buch V, Milet A, Devlin P and Jungwirth P 2007 Phys. Chem. Chem. Phys. 9 4736
24. Buch V, Milet A, Vacha R, Jungwirth P and Devlin J P 2007 Proc. National Academy Sci. USA 104 7342
25. Tuckerman M E, Marx D and Parrinello M 2002 Nature 417 925