Approximating First Hitting Point Distribution in Milestoning for Rare Event Kinetics-Reference-Cited by-同舟云学术

Approximating First Hitting Point Distribution in Milestoning for Rare Event Kinetics

Published:2023-09-11 Issue:19 Volume:19 Page:6816-6826
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Wang Ru¹,Wang Hao¹^ORCID,Liu Wenjian¹^ORCID,Elber Ron²³^ORCID

Affiliation:

1. Qingdao Institute for Theoretical and Computational Sciences, Institute of Frontier and Interdisciplinary Science, Shandong University, Qingdao, Shandong 266237, P. R. China

2. Oden Institute for Computational Engineering and Sciences, University of Texas at Austin, Austin, Texas 78712, United States

3. Department of Chemistry, University of Texas at Austin, Austin, Texas 78712, United States

Funder

Shandong University

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00315

Reference37 articles.

1. Molecular Kinetics in Condensed Phases

2. A novel path sampling method for the calculation of rate constants

3. Elaborating transition interface sampling methods

4. Forward flux sampling-type schemes for simulating rare events: Efficiency analysis

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