共 50 条
- [21] Path integrals and ab initio molecular dynamicsMONTE CARLO AND MOLECULAR DYNAMICS OF CONDENSED MATTER SYSTEMS, 1996, 49 : 649 - 666Alavi, A
- [22] Ab initio molecular dynamics on quantum computersJOURNAL OF CHEMICAL PHYSICS, 2021, 154 (16):Fedorov, Dmitry A.Otten, Matthew J.Gray, Stephen K.Alexeev, Yuri
- [23] Fast algorithms for ab initio molecular dynamicsABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2005, 230 : U2845 - U2845Herbert, JMHead-Gordon, M
- [24] Ab initio molecular dynamics in adaptive coordinatesP C Magazine: The Independent Guide to IBM - Standard Personal Computers, 14 (11):Gygi, F.
- [25] Accelerated ab initio sampling and molecular dynamicsABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2014, 247Steele, Ryan P.
- [26] Ab Initio Nonadiabatic Quantum Molecular DynamicsCHEMICAL REVIEWS, 2018, 118 (07) : 3305 - 3336Curchod, Basile F. E.Martinez, Todd J.
- [27] Ab initio molecular dynamics of metal surfacesJOURNAL OF PHYSICS-CONDENSED MATTER, 2004, 16 (26) : S2575 - S2596Walker, BGMolteni, CMarzari, N
- [28] Ab initio multiple spawning:: Photochemistry from first principles quantum molecular dynamicsJOURNAL OF PHYSICAL CHEMISTRY A, 2000, 104 (22): : 5161 - 5175Ben-Nun, MQuenneville, JMartínez, TJ
- [29] A Versatile Multiple Time Step Scheme for Efficient ab Initio Molecular Dynamics SimulationsJOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2018, 14 (06) : 2834 - 2842Liberatore, ElisaMeli, RoccoRothlisberger, Ursula
- [30] 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