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: | , |
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| Other Authors: | |
| Format: | Article |
| Language: | en_US |
| Published: |
American Institute of Physics (AIP)
2014
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| Online Access: | http://hdl.handle.net/1721.1/92363 https://orcid.org/0000-0003-1417-9470 |