Optimizing reaction coordinate by flux maximization in the transition path ensemble-Reference-Cited by-同舟云学术

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Optimizing reaction coordinate by flux maximization in the transition path ensemble

Published:2022-02-07 Issue:5 Volume:156 Page:054117
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Li Wenjin¹^ORCID

Affiliation:

1. Institute for Advanced Study, Shenzhen University, Shenzhen, China

Funder

Natural Science Foundation of Guangdong Province

Start-up Grand for Young Scientists, Shenzhen University, China

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

https://aip.scitation.org/doi/pdf/10.1063/5.0079390

Reference56 articles.

1. Molecular dynamics simulations of biomolecules

2. X. Wang, N. Singh, and W. Li, Systems Medicine (Elsevier, 2021), pp. 182–189.

3. Statistical mechanics of isomerization dynamics in liquids and the transition state approximation

4. On the calculation of reaction rate constants in the transition path ensemble

5. From transition paths to transition states and rate coefficients

Cited by 6 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Potential Energy Weighted Reactive Flux and Total Rate of Change of Potential Energy: Theory and Illustrative Applications;The Journal of Physical Chemistry A;2022-10-17

2. Energy Decomposition along Reaction Coordinate: Theory and Applications to Nonequilibrium Ensembles of Trajectories;The Journal of Physical Chemistry A;2022-10-10

3. Committor-Consistent Variational String Method;The Journal of Physical Chemistry Letters;2022-09-29

4. Potential Energy Weighted Reactive Flux and Total Rate of Change of Potential Energy: Theory and Illustrative Applications;2022-07-10

5. Time-Lagged Flux in the Transition Path Ensemble: Flux Maximization and Relation to Transition Path Theory;The Journal of Physical Chemistry A;2022-06-07

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