| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5411993 | Journal of Molecular Liquids | 2013 | 5 Pages |
Abstract
⺠SWM4-NDP polarizable water model is implemented in GROMACS simulation package. ⺠Simulations are performed in a wide range of temperatures and pressures. ⺠Bulk properties of liquid water are investigated. ⺠Accurate calculation of slow converging dielectric constant is performed. ⺠SWM4-NDP model is suitable for simulations at high temperatures and pressures.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Mikhail R. Stukan, Aldi Asmadi, Wael Abdallah,