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Understanding molecular simulation : from algorithms to applications /

Main Author: Frenkel, Daan, 1948- (Author)
Other Authors: Smit, Berend,
Format: Book
Language:English
Edition:2nd ed.
Series:Computational science series ; 1
Subjects:
Intermolecular forces > Computer simulation.
Molecules > Mathematical models.
Intermolecular forces > Computer simulation. Molecules > Mathematical models.
Forces intermoléculaires > Simulation par ordinateur.
Molécules > Modèles mathématiques.
SCIENCE > Physics > Atomic & Molecular.
Simulatiemodellen.
Monte Carlo-methode.
Statistische mechanica.
Moleculaire dynamica.
Vrije energie.
Fase-evenwichten.
Forças intermoleculares (simulação computacional)
Molécula (modelos matemáticos)
Online Access:http://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=203101
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050 4 |a QD461  |b .F86 2002eb  |e pn 
100 1 |a Frenkel, Daan,  |d 1948-  |e author. 
245 1 0 |a Understanding molecular simulation :  |b from algorithms to applications /  |c Daan Frenkel, Berend Smit. 
250 |a 2nd ed. 
300 |a 1 online resource (xxii, 638 pages) :  |b illustrations. 
490 1 |a Computational science series ;  |v 1 
504 |a Includes bibliographical references (pages 589-617) and index. 
505 0 |a Statistical mechanics -- Monte Carlo simulations -- Molecular dynamics simulations -- Monte Carlo simulations in various ensembles -- Molecular dynamics in various ensembles -- Free energy calculations -- The Gibbs ensemble -- Other methods to study coexistence -- Free energies of solids -- Free energy of chain molecules -- Long-range interactions -- Biased Monte Carlo schemes -- Accelerating Monte Carlo sampling -- Tackling time-scale problems -- Rare events -- Dissipative particle dynamics. 
650 0 |a Intermolecular forces  |x Computer simulation. 
650 0 |a Molecules  |x Mathematical models. 
650 4 |a Intermolecular forces  |x Computer simulation. Molecules  |x Mathematical models. 
650 6 |a Forces intermoléculaires  |x Simulation par ordinateur. 
650 6 |a Molécules  |x Modèles mathématiques. 
650 7 |a SCIENCE  |x Physics  |x Atomic & Molecular. 
650 7 |a Intermolecular forces  |x Computer simulation. 
650 7 |a Molecules  |x Mathematical models. 
650 1 7 |a Simulatiemodellen. 
650 1 7 |a Monte Carlo-methode. 
650 1 7 |a Statistische mechanica. 
650 1 7 |a Moleculaire dynamica. 
650 1 7 |a Vrije energie. 
650 1 7 |a Fase-evenwichten. 
650 7 |a Forças intermoleculares (simulação computacional) 
650 7 |a Molécula (modelos matemáticos) 
700 1 |a Smit, Berend, 
856 4 0 |u http://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=203101 
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