Generative methods for sampling transition paths in molecular dynamics
Molecular systems often remain trapped for long times around some local minimum of the potential energy function, before switching to another one – a behavior known as metastability. Simulating transition paths linking one metastable state to another one is difficult by direct numerical methods. In...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
EDP Sciences
2023-01-01
|
| Series: | ESAIM: Proceedings and Surveys |
| Online Access: | https://www.esaim-proc.org/articles/proc/pdf/2023/02/proc2307312.pdf |