Ionic Liquids Treated within the Grand Canonical Adaptive Resolution Molecular Dynamics Technique
We use the Grand Canonical Adaptive Resolution Molecular Dynamics Technique (GC-AdResS) to examine the essential degrees of freedom necessary for reproducing the structural properties of the imidazolium class of ionic liquids. In this technique, the atomistic details are treated as an open sub-regio...
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2018-02-01
|
| Series: | Computation |
| Subjects: | |
| Online Access: | http://www.mdpi.com/2079-3197/6/1/23 |