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Cited by 437

The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.

Accurate sampling using Langevin dynamics

Open access
Bussi, Giovanni, Parrinello, Michele·2007·Physical Review E

Abstract

We show how to derive a simple integrator for the Langevin equation and illustrate how it is possible to check the accuracy of the obtained distribution on the fly, using the concept of effective energy introduced in a recent paper [J. Chem. Phys. 126, 014101 (2007)]. Our integrator leads to correct sampling also in the difficult high-friction limit. We also show how these ideas can be applied in practical simulations, using a Lennard-Jones crystal as a paradigmatic case.

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Crossref · 10.1103/physreve.75.056707

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Metadata

Authors
Bussi, G., & Parrinello, M.
Venue
Physical Review E
Published
2007-05-25
Volume
75
Issue
5
Pages
056707-056707
ISSN
  • 1539-3755 (ISSN-L)
  • 1550-2376
OpenAlex
W1969798710
Cited by
437
References
2
FWCI
4.33
Type
journal article
Language
en
Open access
green

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