Molecular dynamic simulation methods for anisotropic liquids
โ Scribed by Aoki, Keiko M.; Yoneya, Makoto; Yokoyama, Hiroshi
- Book ID
- 126609159
- Publisher
- American Institute of Physics
- Year
- 2004
- Tongue
- English
- Weight
- 441 KB
- Volume
- 120
- Category
- Article
- ISSN
- 0021-9606
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
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
A molecular dynamlcs simulation of CHCI 3 is reported using a 5 x 5 Lennard-Jones atom-atom potential with partial charges at each atomic site. Thermodynamic and spectral properties have been computed for direct comparison with a range of experimental measurements. In general the agreement is good,