共 50 条
- [1] Accelerating rare events in ab initio molecular dynamics simulations.ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2000, 219 : U325 - U325Rothlisberger, UVandeVondele, JHB
- [2] Accelerating ab initio molecular dynamics simulations by linear prediction methodsCHEMICAL PHYSICS LETTERS, 2016, 661 : 42 - 47Herr, Jonathan D.Steele, Ryan P.
- [3] Derivatization and diffusive motion of molecular fullerenes: Ab initio and atomistic simulationsJOURNAL OF APPLIED PHYSICS, 2015, 118 (02)Berdiyorov, G.Harrabi, K.Mehmood, U.Peeters, F. M.Tabet, N.Zhang, J.Hussein, I. A.McLachlan, M. A.
- [4] Ab initio molecular dynamics simulationsJOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (31): : 12878 - 12887Tuckerman, MEUngar, PJvonRosenvinge, TKlein, ML
- [5] Ab initio molecular dynamics simulations of molecular crystalsMATERIALS THEORY, SIMULATIONS, AND PARALLEL ALGORITHMS, 1996, 408 : 477 - 488Tuckerman, MEvonRosenvinge, TKlein, ML
- [6] Ab initio molecular dynamics simulations of molecular collisions of nitromethaneSHOCK COMPRESSION OF CONDENSED MATTER-2001, PTS 1 AND 2, PROCEEDINGS, 2002, 620 : 407 - 410Wei, DQZhang, FWoo, TK
- [7] Ab initio molecular dynamics simulations of liquid GaAsJOURNAL OF CHEMICAL PHYSICS, 1998, 109 (17): : 7312 - 7318Godlevsky, VChelikowsky, JR
- [8] Ab initio molecular dynamic simulations of the benzene dimerABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2006, 232 : 78 - 78Garrison, StephenGonzalez, InesGonzalez, CarlosLim, Edward C.Marquez, Manuel
- [9] Amorphous zirconia: ab initio molecular dynamics simulationsPHILOSOPHICAL MAGAZINE, 2017, 97 (16) : 1334 - 1345Durandurdu, Murat