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Computation of Minimum Energy Paths for

✍ Scribed by Jeremy Chamard; Josef Otta; David J. B. Lloyd

Publisher
Springer US
Year
2011
Tongue
English
Weight
847 KB
Volume
49
Category
Article
ISSN
0885-7474

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On-the-path random walk sampling for eff
On-the-path random walk sampling for efficient optimization of minimum free-energy path
✍ Mengen Chen; Wei Yang πŸ“‚ Article πŸ“… 2009 πŸ› John Wiley and Sons 🌐 English βš– 236 KB

## Abstract A sampling method is proposed for the efficient acquisition of minimum free‐energy path (MFEP). Here, the MFEP optimization is realized based on the sampling via single on‐the‐path random walk simulation. The present strategy naturally ensures the on‐the‐path structural continuity so th