Molecular Dynamics(MD)
History
1957:Molecular kinetic method of solid body ball(first Alder and Wainwright← MD)
1964:Enhancing to mass system(Rahman)
1971:Enhancing to solid body system(Rahman and Stillinger)
1977:Enhancing to restraint system(Rychaert etc.)
1980:Introduction of fixed pressure condition(method and Parrinello-Rahman method of Andersen)
1983:Enhancing to nonequilibrium system(Gillan and Dixon)
1984:Introduction of constant temperature condition(Nose ‐ Hoover's method)
1985:Molecular the first principle kinetic method(→ car Paris Nero method)
1991:Enhancing to semi-group (set)-affiliated Taishou era(Cagin and Pettit)
Software
NAMD
PEACH

Last update 08/10/09