We consider the application of canonical numerical integrators to molecular dynamics simulations. Computer experiments are done to analyze the relative merits of using canonical integrators against their noncanonical counterparts. These experiments involve the study of the properties of liquid argon
Numerical irreversibility in time-reversible molecular dynamics simulation
β Scribed by Nobuyoshi Komatsu; Takashi Abe
- Publisher
- Elsevier Science
- Year
- 2004
- Tongue
- English
- Weight
- 131 KB
- Volume
- 195
- Category
- Article
- ISSN
- 0167-2789
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