## Abstract We present new generalized‐ensemble molecular dynamics simulation algorithms, which we refer to as the multibaric–multithermal molecular dynamics. We describe three algorithms based on (1) the Nosé thermostat and the Andersen barostat, (2) the Nosé–Poincaré thermostat and the Andersen b
Multibaric–multithermal ensemble simulations for fluid systems
✍ Scribed by Hisashi Okumura; Yuko Okamoto
- Publisher
- Elsevier Science
- Year
- 2005
- Tongue
- English
- Weight
- 381 KB
- Volume
- 350
- Category
- Article
- ISSN
- 0378-4371
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