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Constant-temperature molecular dynamics

✍ Scribed by Nose, S


Book ID
121370175
Publisher
Institute of Physics
Year
1990
Tongue
English
Weight
306 KB
Volume
2
Category
Article
ISSN
0953-8984

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πŸ“œ SIMILAR VOLUMES


The Nosé–PoincarΓ© Method for Constant Te
✍ Stephen D Bond; Benedict J Leimkuhler; Brian B Laird πŸ“‚ Article πŸ“… 1999 πŸ› Elsevier Science 🌐 English βš– 154 KB

We present a new extended phase space method for constant temperature (canonical ensemble) molecular dynamics. Our starting point is the Hamiltonian introduced by NosΓ© to generate trajectories corresponding to configurations in the canonical ensemble. Using a PoincarΓ© time-transformation, we constru