Transition Path Sampling as Markov Chain Monte Carlo of Trajectories: Recent Algorithms, Software, Applications, and Future Outlook-Reference-Cited by-同舟云学术

Transition Path Sampling as Markov Chain Monte Carlo of Trajectories: Recent Algorithms, Software, Applications, and Future Outlook

Published:2021-03-09 Issue:4 Volume:4 Page:2000237
ISSN:2513-0390
Container-title:Advanced Theory and Simulations
language:en
Short-container-title:Advcd Theory and Sims

Author:

Bolhuis Peter G.¹,Swenson David W. H.²

Affiliation:

1. Amsterdam Center for Multiscale Modeling van 't Hoff Institute for Molecular Sciences University of Amsterdam PO Box 94157 1090 GD Amsterdam The Netherlands

2. Centre Blaise Pascal Ecole Normale Superieure 46, allée d'Italie 69364 Lyon Cedex 07 France

Funder

Horizon 2020 Framework Programme

Publisher

Wiley

Subject

Multidisciplinary,Modeling and Simulation,Numerical Analysis,Statistics and Probability

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/adts.202000237

Reference182 articles.

1. Monte Carlo free energy estimates using non-Boltzmann sampling: Application to the sub-critical Lennard-Jones fluid

2. Constrained reaction coordinate dynamics for the simulation of rare events

3. Local elevation: A method for improving the searching properties of molecular dynamics simulation

4. Predicting slow structural transitions in macromolecular systems: Conformational flooding

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