Comparison of modern Langevin integrators for simulations of coarse-grained polymer melts
Author:
Affiliation:
1. Department of Mathematics, Temple University, Philadelphia, PA, USA
2. Institute for Computational Molecular Science, Temple University, Philadelphia, PA, USA
3. National Heart, Lung and Blood Institute, Bethesda, MD, USA
Funder
US Army Research Laboratory
National Science Foundation
Temple University's
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
https://www.tandfonline.com/doi/pdf/10.1080/00268976.2019.1649493
Reference41 articles.
1. Reversible multiple time scale molecular dynamics
2. Nosé–Hoover chains: The canonical ensemble via continuous dynamics
3. Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
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