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Cover: 9780122673511 | Understanding Molecular Simulation | From Algorithms to Applications
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Understanding Molecular Simulation
From Algorithms to Applications
Buch von Berend Smit (u. a.)
Sprache: Englisch

111,95 €*

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Beschreibung
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.
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.
Über den Autor
Daan 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 liquids, modeling the (hydro) dynamics of colloids and microporous structures, and predicting the rate of activated processes. He was awarded the prestigious Spinoza Prize from the Dutch Research Council in 2000.
Inhaltsverzeichnis
1. Introduction Part I Basics2. Statistical Mechanics
3. Monte Carlo Simulations
4. Molecular Dynamics Simulations Part II Ensembles5. Monte Carlo Simulations in Various Ensembles
6. Molecular Dynamics in Various Ensembles Part III Free Energies and Phase Equilibria7. Free Energy Calculations
8. The Gibbs Ensemble
9. Other Methods to Study Coexistence
10. Free Energies of Solids
11. Free Energy of Chain Molecules Part IV Advanced Techniques12. Long-Range Interactions
13. Biased Monte Carlo Schemes
14. Accelerating Monte Carlo Sampling
15. Tackling Time-Scale Problems
16. Rare Events
17. Dissipative Particle Dynamics
Details
Erscheinungsjahr: 2001
Fachbereich: Gentechnologie
Genre: Biologie, Importe
Rubrik: Naturwissenschaften & Technik
Medium: Buch
Inhalt: Gebunden
ISBN-13: 9780122673511
ISBN-10: 0122673514
Sprache: Englisch
Einband: Gebunden
Autor: Smit, Berend
Frenkel, Daan
Hersteller: Elsevier Science Publishing Co Inc
Verantwortliche Person für die EU: preigu, Ansas Meyer, Lengericher Landstr. 19, D-49078 Osnabrück, mail@preigu.de
Maße: 241 x 161 x 45 mm
Von/Mit: Berend Smit (u. a.)
Erscheinungsdatum: 19.10.2001
Gewicht: 1,152 kg
Artikel-ID: 102568018
Über den Autor
Daan 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 liquids, modeling the (hydro) dynamics of colloids and microporous structures, and predicting the rate of activated processes. He was awarded the prestigious Spinoza Prize from the Dutch Research Council in 2000.
Inhaltsverzeichnis
1. Introduction Part I Basics2. Statistical Mechanics
3. Monte Carlo Simulations
4. Molecular Dynamics Simulations Part II Ensembles5. Monte Carlo Simulations in Various Ensembles
6. Molecular Dynamics in Various Ensembles Part III Free Energies and Phase Equilibria7. Free Energy Calculations
8. The Gibbs Ensemble
9. Other Methods to Study Coexistence
10. Free Energies of Solids
11. Free Energy of Chain Molecules Part IV Advanced Techniques12. Long-Range Interactions
13. Biased Monte Carlo Schemes
14. Accelerating Monte Carlo Sampling
15. Tackling Time-Scale Problems
16. Rare Events
17. Dissipative Particle Dynamics
Details
Erscheinungsjahr: 2001
Fachbereich: Gentechnologie
Genre: Biologie, Importe
Rubrik: Naturwissenschaften & Technik
Medium: Buch
Inhalt: Gebunden
ISBN-13: 9780122673511
ISBN-10: 0122673514
Sprache: Englisch
Einband: Gebunden
Autor: Smit, Berend
Frenkel, Daan
Hersteller: Elsevier Science Publishing Co Inc
Verantwortliche Person für die EU: preigu, Ansas Meyer, Lengericher Landstr. 19, D-49078 Osnabrück, mail@preigu.de
Maße: 241 x 161 x 45 mm
Von/Mit: Berend Smit (u. a.)
Erscheinungsdatum: 19.10.2001
Gewicht: 1,152 kg
Artikel-ID: 102568018
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