Graded methods for rapid generation of quantum mechanical forces in molecular dynamics simulations
DeCarlos E. Taylor, V.V. Karasiev, Keith Runge, S.B. Trickey, Frank E. HarrisVolume:
39
Year:
2007
Language:
english
Pages:
709
DOI:
10.1016/j.commatsci.2006.09.011
File:
PDF, 351 KB
english, 2007