Molecular Dynamics Simulations of the Liquid/Vapor Interface of SPC/E Water
✍ Scribed by Taylor, Ramona S.; Dang, Liem X.; Garrett, Bruce C.
- Book ID
- 118063124
- Publisher
- American Chemical Society
- Year
- 1996
- Tongue
- English
- Weight
- 489 KB
- Volume
- 100
- Category
- Article
- ISSN
- 0022-3654
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📜 SIMILAR VOLUMES
We report a simulation of a two-dimensional system of Lennard-Jones particles, carried out on a special purpose molecular dynamics hardware processor. We study the behaviour of the liquidvapor interface in fwo dimensions. The interface width is observed to diverge as a function of the interface le
## Abstract Molecular dynamics (MD) simulations are a vital tool in chemical research, as they are able to provide an atomistic view of chemical systems and processes that is not obtainable through experiment. However, large‐scale MD simulations require access to multicore clusters or supercomputer