9780122673511 - Understanding Molecular Simulation: From Algorithms to Applications (Computational Science Series, Vol 1) de Frenkel, Daan; Smit, Berend (33 resultados)

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hardcover. Condición: Sehr gut. Gebraucht - Sehr gut SG - leichte Beschädigungen oder Verschmutzungen, ungelesenes Mängelexemplar, gestempelt - 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.

Condición: New. pp. xxii + 638 Illus.

hardcover. Condición: New. Special order direct from the distributor.

Hardcover. Condición: new. Hardcover. 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. 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 eventsDissipative particle dynamic as a course-grained simulation techniqueNovel schemes to compute the long-ranged forcesHamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulationsMultiple-time step algorithms as an alternative for constraintsDefects in solidsThe pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex moleculesParallel tempering for glassy HamiltoniansExamples 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. Questionsare included in this new edition. No prior knowledge of computer simulation is assumed. Shipping may be from multiple locations in the US or from the UK, depending on stock availability.

Condición: As New. Unread book in perfect condition.

Hardcover. Condición: Brand New. 2nd sub edition. 638 pages. 9.00x6.00x1.50 inches. In Stock.

Condición: New.

Condición: New. pp. xxii + 638 2nd Edition.

Hardback. Condición: New. New copy - Usually dispatched within 4 working days.

Condición: New. pp. xxii + 638.

Condición: New. 2001. 2nd Edition. Hardcover. 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. This title explains the physics behind the 'recipes' of molecular simulation for materials science. Num Pages: 664 pages, Illustrations. BIC Classification: PHM; TGM; UGK. Category: (P) Professional & Vocational. Dimension: 234 x 343 x 39. Weight in Grams: 1052. . . . . .

Condición: As New. Unread book in perfect condition.

Condición: New. Autor/Autorin: Daan FrenkelDaan Frenkel is based at the FOM Institute for Atomic and Molecular Physics and at the Department of Chemistry, University of Amsterdam. His research has three central themes: prediction of phase behavior of complex liqui.

Hardcover. Condición: Brand New. 2nd sub edition. 638 pages. 9.00x6.00x1.50 inches. In Stock.

Condición: New. 2001. 2nd Edition. Hardcover. 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. This title explains the physics behind the 'recipes' of molecular simulation for materials science. Num Pages: 664 pages, Illustrations. BIC Classification: PHM; TGM; UGK. Category: (P) Professional & Vocational. Dimension: 234 x 343 x 39. Weight in Grams: 1052. . . . . . Books ship from the US and Ireland.

Hardcover. Condición: new. Hardcover. 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. 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 eventsDissipative particle dynamic as a course-grained simulation techniqueNovel schemes to compute the long-ranged forcesHamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulationsMultiple-time step algorithms as an alternative for constraintsDefects in solidsThe pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex moleculesParallel tempering for glassy HamiltoniansExamples 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. Questionsare included in this new edition. No prior knowledge of computer simulation is assumed. Shipping may be from our Sydney, NSW warehouse or from our UK or US warehouse, depending on stock availability.