A self-learning algorithm for biased molecular dynamics.
A new self-learning algorithm for accelerated dynamics, reconnaissance metadynamics, is proposed that is able to work with a very large number of collective coordinates. Acceleration of the dynamics is achieved by constructing a bias potential in terms of a patchwork of one-dimensional, locally vali...
| Main Authors: | , , |
|---|---|
| פורמט: | Journal article |
| שפה: | English |
| יצא לאור: |
2010
|