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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
Issue Date
2014-01
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.
URI
https://scholarworks.unist.ac.kr/handle/201301/4095
URL
https://www.worldscientific.com/doi/abs/10.1142/S0129183113400238
DOI
10.1142/S0129183113400238
ISSN
0129-1831
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ECHE_Journal Papers
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