Bezier curve string method for the study of rare events in complex chemical systems
We present a new string method for finding the most probable transition pathway and optimal reaction coordinate in complex chemical systems. Our approach evolves an analytic parametric curve, known as a Bezier curve, to the most probable transition path between metastable regions in configuration sp...
| Main Authors: | , |
|---|---|
| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
American Institute of Physics (AIP),
2014-12-18T13:14:13Z.
|
| Subjects: | |
| Online Access: | Get fulltext |