Developing Fast and Accurate Water Models for Atomistic Molecular Dynamics Simulations
Water models are of great importance for different fields of studies such as fluid mechanics, nano materials, and biomolecule simulations. In this dissertation, we focus on the water models applied in atomistic simulations, including those of biomolecules such as proteins and DNA. Despite water'...
| Main Author: | |
|---|---|
| Other Authors: | |
| Format: | Others |
| Published: |
Virginia Tech
2021
|
| Subjects: | |
| Online Access: | http://hdl.handle.net/10919/105002 |