Anomalous Effects of Velocity Rescaling Algorithms: The Flying Ice Cube Effect Revisited-Reference-Cited by-同舟云学术

Anomalous Effects of Velocity Rescaling Algorithms: The Flying Ice Cube Effect Revisited

Published:2018-08-03 Issue:10 Volume:14 Page:5262-5272
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Braun Efrem¹^ORCID,Moosavi Seyed Mohamad²^ORCID,Smit Berend¹²^ORCID

Affiliation:

1. Department of Chemical and Biomolecular Engineering, University of California, Berkeley, Berkeley, California 94720, United States

2. Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques (ISIC), Valais, École Polytechnique Fédérale de Lausanne (EPFL), Rue de l’Industrie 17, CH-1951 Sion, Switzerland

Funder

U.S. Department of Energy

Deutsche Forschungsgemeinschaft

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00446

Reference69 articles.

1. Isothermal molecular dynamics calculations for liquid salts

2. Nonequilibrium molecular dynamics via Gauss's principle of least constraint

3. A unified formulation of the constant temperature molecular dynamics methods

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