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Theoretical analysis of constrained minimum energy paths

✍ Scribed by Peter Scharfenberg


Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
240 KB
Volume
79
Category
Article
ISSN
0009-2614

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## 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