Novel methods for molecular dynamics simulations
โ Scribed by Ron Elber
- Book ID
- 117656076
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 447 KB
- Volume
- 6
- Category
- Article
- ISSN
- 0959-440X
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
## Abstract The structure of the general classical trajectory FORTRAN code is discussed for use in molecular dynamics simulations of polymer processes. Substantial reductions in the number of mathematical operations in the code are achieved by using statement functions, modifying the ususal chain r