Molecular Simulation, Volume 39, Issue 14-15 (2013)

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Molecular Simulation, Volume 39, Issue 14-15 (2013)

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Monte Carlo Codes, Tools and Algorithms

Editorial

Editorial
Preface to the special issue on ‘Monte Carlo Codes, Tools and Algorithms’
Martin B. Sweatman
Pages: 1123-1124
Published online: 12 Nov 2013
CitationforPreface to the special issue on ‘Monte Carlo Codes, Tools and Algorithms’ | Full Text | References | PDF (66.2 KB)
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Articles

Article
Computationally efficient Monte Carlo simulations for polarisable models: multi-particle move method for water and aqueous electrolytes
Filip Moučka, Ivo Nezbeda & William R. Smith
Pages: 1125-1134
Published online: 11 Sep 2013
AbstractforComputationally efficient Monte Carlo simulations for polarisable models: multi-particle move method for water and aqueous electrolytes | Full Text | References | PDF (269.1 KB)
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Article
Influence of simulation protocols on the efficiency of Gibbs ensemble Monte Carlo simulations
Angel D. Cortés Morales, Ioannis G. Economou, Cornelis J. Peters & J. Ilja Siepmann
Pages: 1135-1142
Published online: 13 Sep 2013
AbstractforInfluence of simulation protocols on the efficiency of Gibbs ensemble Monte Carlo simulations | Full Text | References | PDF (256.4 KB)
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Article
Application of the interface potential approach to calculate the wetting properties of a water model system
Vaibhaw Kumar & Jeffrey R. Errington
Pages: 1143-1152
Published online: 11 Sep 2013
AbstractforApplication of the interface potential approach to calculate the wetting properties of a water model system | Full Text | References | PDF (303.7 KB)
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Article
Monte Carlo methods in Materials Studio
Reinier L.C. Akkermans, Neil A. Spenley & Struan H. Robertson
Pages: 1153-1164
Published online: 14 Oct 2013
AbstractforMonte Carlo methods in Materials Studio | Full Text | References | PDF (321.9 KB)
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Article
Overview of MedeA®-GIBBS capabilities for thermodynamic property calculation and VLE behaviour description of pure compounds and mixtures: application to polar compounds generated from ligno-cellulosic biomass
Marianna Yiannourakou, Philippe Ungerer, Benoit Leblanc, Nicolas Ferrando & Jean-Marie Teuler
Pages: 1165-1211
Published online: 14 Oct 2013
AbstractforOverview of MedeA®-GIBBS capabilities for thermodynamic property calculation and VLE behaviour description of pure compounds and mixtures: application to polar compounds generated from ligno-cellulosic biomass | Full Text | References | PDF (1.9 MB) | Supplemental
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Article
MCCCS Towhee: a tool for Monte Carlo molecular simulation
Marcus G. Martin
Pages: 1212-1222
Published online: 16 Sep 2013
AbstractforMCCCS Towhee: a tool for Monte Carlo molecular simulation | Full Text | References | PDF (177.5 KB)
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Article
Experiences with the publicly available multipurpose simulation code, Music
Shaji Chempath, Tina Düren, Lev Sarkisov & Randall Q. Snurr
Pages: 1223-1232
Published online: 03 Sep 2013
AbstractforExperiences with the publicly available multipurpose simulation code, Music | Full Text | References | PDF (325.8 KB)
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Article
Faunus – a flexible framework for Monte Carlo simulation
Björn Stenqvist, Axel Thuresson, Anıl Kurut, Robert Vácha & Mikael Lund
Pages: 1233-1239
Published online: 16 Sep 2013
AbstractforFaunus – a flexible framework for Monte Carlo simulation | Full Text | References | PDF (232.9 KB)
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Article
DL_MONTE: a general purpose program for parallel Monte Carlo simulation
J.A. Purton, J.C. Crabtree & S.C. Parker
Pages: 1240-1252
Published online: 25 Sep 2013
AbstractforDL_MONTE: a general purpose program for parallel Monte Carlo simulation | Full Text | References | PDF (801.3 KB)
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Open Access
Article
On the inner workings of Monte Carlo codes
David Dubbeldam, Ariana Torres-Knoop & Krista S. Walton
Pages: 1253-1292
Published online: 02 Oct 2013
AbstractforOn the inner workings of Monte Carlo codes | Full Text | References | PDF (821.1 KB) | Supplemental
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Erratum

Correction
Erratum
Page: 1293
Published online: 31 Oct 2013
CitationforErratum | Full Text | PDF (29.9 KB)
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Editorial Board

Editorial Board
Page: epi
Published online: 12 Nov 2013
CitationforEditorial Board | Full Text | PDF (26.8 KB)
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