Equilibrium Molecular Dynamics Simulations

作者: Betsy M. Rice , Thomas D. Sewell

DOI: 10.1007/978-3-540-68151-9_7

关键词:

摘要:

参考文章(188)
James R. Holden, Zuyue Du, Herman L. Ammon, Prediction of possible crystal structures for C-, H-, N-, O-, and F-containing organic compounds Journal of Computational Chemistry. ,vol. 14, pp. 422- 437 ,(1993) , 10.1002/JCC.540140406
J.-B. Maillet, M. Mareschal, L. Soulard, R. Ravelo, P. S. Lomdahl, T. C. Germann, B. L. Holian, Uniaxial Hugoniostat: A method for atomistic simulations of shocked materials Physical Review E. ,vol. 63, pp. 016121- ,(2000) , 10.1103/PHYSREVE.63.016121
Angelo Gavezzotti, Are Crystal Structures Predictable Accounts of Chemical Research. ,vol. 27, pp. 309- 314 ,(1994) , 10.1021/AR00046A004
J. Tersoff, Empirical Interatomic Potential for Carbon, with Applications to Amorphous Carbon Physical Review Letters. ,vol. 61, pp. 2879- 2882 ,(1988) , 10.1103/PHYSREVLETT.61.2879
Evan J. Reed, Laurence E. Fried, William D. Henshaw, Craig M. Tarver, Analysis of simulation technique for steady shock waves in materials with analytical equations of state. Physical Review E. ,vol. 74, pp. 056706- ,(2006) , 10.1103/PHYSREVE.74.056706
Evan J. Reed, J. D. Joannopoulos, Laurence E. Fried, Electronic excitations in shocked nitromethane Physical Review B. ,vol. 62, pp. 16500- 16509 ,(2000) , 10.1103/PHYSREVB.62.16500
Dan C. Sorescu, Betsy M. Rice, Donald L. Thompson, Theoretical Studies of Solid Nitromethane Journal of Physical Chemistry B. ,vol. 104, pp. 8406- 8419 ,(2000) , 10.1021/JP000942Q
Dmitry Bedrov, Oleg Borodin, Ben Hanson, Grant D. Smith, Comment on "On the accuracy of force fields for predicting the physical properties of dimethylnitramine". Journal of Physical Chemistry B. ,vol. 111, pp. 1900- 1902 ,(2007) , 10.1021/JP066662D
Wayne M. Trott, Melvin R. Baer, Jaime N. Castañeda, Lalit C. Chhabildas, James R. Asay, Investigation of the mesoscopic scale response of low-density pressings of granular sugar under impact Journal of Applied Physics. ,vol. 101, pp. 024917- ,(2007) , 10.1063/1.2427093
Anders M. N. Niklasson, C. J. Tymczak, Matt Challacombe, Time-reversible ab initio molecular dynamics. Journal of Chemical Physics. ,vol. 126, pp. 144103- 144103 ,(2007) , 10.1063/1.2715556