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Kwak, Sang Kyu
Kyu’s MolSim Lab @ UNIST
Research Interests
  • Molecular modeling and simulation, statistical thermodynamics, molecular physics

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Direct simulation monte carlo for dense hard spheres

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Title
Direct simulation monte carlo for dense hard spheres
Author
Chao, LiuKwak, Sang KyuAnsumali, Santosh
Keywords
direct simulation Monte Carlo; fast molecular dynamics; Hard-sphere fluids; modified Enskog theory
Issue Date
201401
Publisher
WORLD SCIENTIFIC PUBL CO PTE LTD
Citation
INTERNATIONAL JOURNAL OF MODERN PHYSICS C, v.25, no.1, pp.1 - 8
Abstract
We propose a modified direct simulation Monte Carlo (DSMC) method, which extends the validity of DSMC from rarefied to dense system of hard spheres (HSs). To assess this adapted method, transport properties of hard-sphere (HS) systems have been predicted both at dense states as well as dilute, and we observed the excellent accuracy over existing DSMC-based algorithms including the Enskog theory. The present approach provides an intuitive and systematic way to accelerate molecular dynamics (MD) via mesoscale approach.
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DOI
http://dx.doi.org/10.1142/S0129183113400238
ISSN
0129-1831
Appears in Collections:
ECHE_Journal Papers

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