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Stochastic Resetting for Enhanced Sampling

Published:2022-11-29 Issue:48 Volume:13 Page:11230-11236
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Blumer Ofir¹,Reuveni Shlomi¹²³,Hirshberg Barak¹²^ORCID

Affiliation:

1. School of Chemistry, Tel Aviv University, Tel Aviv6997801, Israel

2. The Center for Computational Molecular and Materials Science, Tel Aviv University, Tel Aviv6997801, Israel

3. The Center for Physics and Chemistry of Living Systems, Tel Aviv University, Tel Aviv6997801, Israel

Funder

United States-Israel Binational Science Foundation

Israel Science Foundation

H2020 European Research Council

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.2c03055

Reference60 articles.

1. Metadynamics

2. From Thermodynamics to Kinetics: Enhanced Sampling of Rare Events

3. Assessing the Reliability of the Dynamics Reconstructed from Metadynamics

4. From Metadynamics to Dynamics

5. Enhanced sampling in molecular dynamics

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1. Resetting as a swift equilibration protocol in an anharmonic potential;Physical Review Research;2024-08-12

2. Progress of collective variables for solid-state phase transformation simulation;International Conference on Optoelectronic Information and Functional Materials (OIFM 2024);2024-07-05

3. Instability in the quantum restart problem;Physical Review E;2024-06-24

4. Environmental memory facilitates search with home returns;Physical Review Research;2024-06-06

5. Thermodynamic work of partial resetting;Journal of Physics A: Mathematical and Theoretical;2024-05-30

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