THE LIQUID STATE. Applications of Molecular Simulations, édition en anglais

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INFORMATION

AUTEUR
David-M Heyes
DIMENSION
6,49 MB
NOM DE FICHIER
THE LIQUID STATE. Applications of Molecular Simulations, édition en anglais.pdf
ISBN
6189184363294

DESCRIPTION

Everyday low prices and free delivery on eligible orders. De très nombreux exemples de phrases traduites contenant "molecular dynamics simulation" - Dictionnaire français-anglais et moteur de recherche de traductions françaises. 5.4.2 Monte Carlo Simulations ; 119 5.4.3 Applications 122 5.5 Isotension-Isothermal Ensemble 125 5.6 Grand-Canonical Ensemble 126 5.6.1 Statistical Mechanical Basis 127 5.6.2 Monte Carlo Simulations 130 5.6.3 Justification of the Algorithm 130 5.6.4 Applications 133 5.7 Questions and Exercises 135 6 Molecular Dynamics in Various Ensembles 139 This article reviews recent progress in the computer simulation of liquid crystals at the molecular level. It covers the use of simple rigid-body models of the constituent molecules, and more detailed modelling via atomistic force fields.

Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic ... Using worthwhile case analysis as a framework, Industrial Applications of Molecular Simulations demonstrates the potential of molecular modeling to cope with points of industrial relevance.

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