Langevin stabilization of molecular dynamics
By Jesus A. Izaguirre, Daniel P. Catarello, Justin M. Wozniak, Robert D. Skeel. 2001
982 citations recorded by the source corpus.
Subfields: Molecular Biology, Numerical Analysis, Statistical and Nonlinear Physics
View Paper: https://www.semanticscholar.org/paper/b8a600c42fbe1448677d7044963b64d2b9cd5b17
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In Molecular Biology
In Statistical and Nonlinear Physics
Citations in the corpus
- Langevin thermostat for rigid body dynamics. (2009, neutral): “6,8,12,14,16 and references therein).”
- Many-Body Coarse-Grained Interactions Using Gaussian Approximation Potentials. (2016, background): “The value of γ needs to be chosen large enough for the thermostat to work effectively and small enough not to overdamp lowfrequency modes; a reasonable choice is γ = m× 5 ps−1, where the friction coefficient is proportional to the mass m of each particle [59].”
- Discovery Through the Computational Microscope (2009, neutral): “…17, October 14, 2009 ª2009 Elsevier Ltd All rights reserved Using efficiency enhancing measures, such as multiple time stepping, may lead to numerical inaccuracies that result in a slow temperature drift over the course of a simulation (Bishop et al., 1997; Izaguirre et al., 2001; Ma et al., 2003).”
- Shadow hybrid Monte Carlo: an efficient propagator in phase space of macromolecules (2004, neutral): “One such method is MOLLY [44–47].”