"Science." . . "atomic physics molecules" . . "Molekulardynamik." . . "Moléculas Modelos." . . "molecular simulation" . . "Molecules Mathematical models." . . "Molecules Mathematical models" . "Moléculas Modelos matemáticos." . . "Moleculas Modelos matemáticos." . "Moleculas Modelos matematicos." . "Frenkel, Daan" . . "modélisation moléculaire." . . "Molécula (modelos matemáticos)" . . "Molécula (modelos matemáticos)." . "Molécules Structure Modèles mathématiques." . . "Dinàmica molecular Simulació per ordinador." . . "Statistische Physik." . . "Molécules Modèles mathématiques." . . "Molécules - Modèles mathématiques." . "Fuerzas intermoleculares Simulación por computadores." . . . . "Vrije energie." . . "Siły międzycząsteczkowe metody symulacji." . . "Simulation Zwischenmolekulare Kraft." . . "Intermolecular forces Computer simulation. Molecules Mathematical models." . . "Moleculaire dynamica." . . "molecular physics" . . "Smit, B." . . "Molecola - Modelli matematici." . . "Statisztikus mechanika." . . "Metodo de Monte Carlo." . . "Mecànica estadística." . . "réactivité chimique simulation par ordinateur." . . "Moleküldynamik Computersimulation." . . "Models matemàtics." . . "computer simulation" . . "structure moléculaire - modélisation." . . "structure moléculaire modélisation." . "Algorithmus." . . "Forças intermoleculares." . . "Simulation." . . "Moleküllerarası kuvvetler Bilgisayar benzeşimi." . . "Computersimulation." . . "Forces intermoleculars Simulació per ordinador." . . "Molecular modelling Algorithmus." . . "Molècules Models Simulació per ordinador." . . "Simulação." . . "Computersimulation Moleküldynamik." . . "Molekül Statistische Physik Computersimulation." . . "Forcas intermoleculares Simulação (Computadores)" . . "Moleküller Matematiksel modeller." . . "Fase-evenwichten." . . "Zwischenmolekulare Kraft." . . "SCIENCE Physics Atomic & Molecular." . . "Molekül." . . "physique." . . "Simulatiemodellen." . . "Molècules Models matemàtics." . . "Computersimulation Zwischenmolekulare Kraft." . . "Molecules." . . "Molècules." . "simulation Monte-Carlo." . . "Chemistry." . . "Molécula." . . "Monte Carlo-methode." . . "Forces intermoleculars." . . "Physics." . . "Fuerzas intermoleculares Simulación, Métodos de." . . "Molekulardynamik s.Computersimulation." . . "Mètode de Montecarlo." . . "Dinàmica molecular." . . "Metoda Monte Carlo (matematyka)." . . "Intermolecular forces Computer simulation." . . "Intermolecular forces Computer simulation" . "Dynamika cząsteczkowa metody symulacji." . . "Algorithmus Molecular modelling." . . "Statistische mechanica." . . "Estrutura molecular (fisica)" . . "Zwischenmolekulare Kraft Simulation." . . "Zwischenmolekulare Kraft s.Computersimulation." . . "Simulació per ordinador." . . "Computersimulation Molekül." . . "Molecular modelling." . . "Intermolecular forces." . . "Forza intermolecolare - Simulazione - Elaborazione elettronica dei dati." . . "Forces intermoléculaires Simulation par ordinateur." . . "Forces intermoléculaires - Simulation par ordinateur." . "Monte Carlo módszerek." . . "Understanding Molecular Simulation : From Algorithms to Applications" . "Understanding molecular simulation from algorithms to applications" . . . . . . . . "Basics: Statistical mechanics. Monte Carlo simulations. Ensembles: Monte Carlos simulations in various ensembles. Molecular dynamics in various ensembles. Free energies and phase equilibria: Free energy calculations. The Gibbs ensemble. Other methods to study coexistence. Free energies of solids. Free energy of chain molecules. Advanced techniques: Long-range interactions. Biased Monte Carlo schemes. Accelerating Monte Carlo sampling. Tackling time-scaling problems. Rare events. Dissipative particle dynamics. Appendices: Lagrangian and Hamiltonian. Non-Hamiltonian dynamics. Linear response theory. Statistical errors. Integration schemes. Saving CPU time. Reference states. Statistical mechanics of the Gibbs \"ensemble\". Overlapping distribution for polymers. Some general purpose algorithms. Small reserach projects. Hints for programming." . . . . . . . . . . . . . . . . . . . . . . . "Understanding Molecular Simulation From Algorithms to Applications"@en . "Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the \"recipes\" of molecular simulation for materials science. 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 principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in."@en . . . . "Electronic books" . "Electronic books"@en . . . . . . . . . . . . . . . . . . . . "Leermiddelen (vorm)" . . . . . . . . . "Understanding molecular simulation : from algorithms to applications" . "Understanding molecular simulation : from algorithms to applications"@en . . "Understanding Molecular Simulation" . . "Llibres electrònics" . . . . . . . . . . . . . . . . . . . . . . . . . . "This book explains the physics behind the \"recipes\" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. Since a wide variety of computational tools exists, the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text. Examples are included that highlight current applications, and the codes of the case studies are available on the World Wide Web. No prior knowledge of computer simulation is assumed." . . . . . . "Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the \"recipes\" of molecular simulation for materials science. 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 principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text. Since the first edition only five years ago, the simulation world has changed significantly -- current techniques have matured and new ones have appeared. This new edition deals with these new developments; in particular, there are sections on: Transition path sampling and diffusive barrier crossing to simulaterare events Dissipative particle dynamic as a course-grained simulation technique Novel schemes to compute the long-ranged forces Hamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulations Multiple-time step algorithms as an alternative for constraints Defects in solids The pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex molecules Parallel tempering for glassy Hamiltonians Examples are included that highlight current applications and the codes of case studies are available on the World Wide Web. Several new examples have been added since the first edition to illustrate recent applications. Questions are included in this new edition. No prior knowledge of computer simulation is assumed." . . . . . . . . . . . . "Providing a unified presentation of computational tools used to study molecular systems, this book explains the physics behind the recipes of molecular simulation for materials science." . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . "Livres électroniques" . . . . . . . . . . . "Simulação (estatística)" . . "Simulação (estatística)." . "modèle Gibbs." . . "Forças intermoleculares (simulação computacional)" . . "Forças intermoleculares (simulação computacional)." .