Efficient multiple time scale molecular dynamics: Using colored noise thermostats to stabilize resonances.
Multiple time scale molecular dynamics enhances computational efficiency by updating slow motions less frequently than fast motions. However, in practice, the largest outer time step possible is limited not by the physical forces but by resonances between the fast and slow modes. In this paper we sh...
| 主要な著者: | , , , |
|---|---|
| フォーマット: | Journal article |
| 言語: | English |
| 出版事項: |
2011
|