Computer Simulation in Chemical Physics

D. J. Tildesley

ISBN 10: 9401047340 / ISBN 13: 9789401047340

Editore: Springer Netherlands Okt 2012, 2012

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This item is printed on demand - it takes 3-4 days longer - Neuware -Computer Simulation in Chemical Physics contains the proceedings of a NATO Advanced Study Institute held at CORISA, Alghero, Sardinia, in September 1992. In the five years that have elapsed since the field was last summarized there have been a number of remarkable advances which have significantly expanded the scope of the methods. Good examples are the Car--Parrinello method, which allows the study of materials with itinerant electrons; the Gibbs technique for the direct simulation of liquid--vapor phase equilibria; the transfer of scaling concepts from simulations of spin models to more complex systems; and the development of the configurational--biased Monte-Carlo methods for studying dense polymers. The field has also been stimulated by an enormous increase in available computing power and the provision of new software. All these exciting developments, an more, are discussed in an accessible way here, making the book indispensable reading for graduate students and research scientists in both academic and industrial settings. 536 pp. Englisch.

Codice articolo 9789401047340

Dati bibliografici

• Titolo: Computer Simulation in Chemical Physics
• Editore: Springer Netherlands Okt 2012
• Data di pubblicazione: 2012
• Lingua: Inglese
• ISBN 10: 9401047340
• ISBN 13: 9789401047340
• Rilegatura: Taschenbuch
• Condizione: Neu
• Dimensioni: 240 L x 160 A x 29 P (millimetri) 240 millimetri di larghezza per 160 millimetri di altezza per 29 millimetri di profondità
• Peso: 846 grammi

Descrizione articolo

Riassunto

Computer Simulation in Chemical Physics contains the proceedings of a NATO Advanced Study Institute held at CORISA, Alghero, Sardinia, in September 1992. In the five years that have elapsed since the field was last summarized there have been a number of remarkable advances which have significantly expanded the scope of the methods. Good examples are the Car--Parrinello method, which allows the study of materials with itinerant electrons; the Gibbs technique for the direct simulation of liquid--vapor phase equilibria; the transfer of scaling concepts from simulations of spin models to more complex systems; and the development of the configurational--biased Monte-Carlo methods for studying dense polymers. The field has also been stimulated by an enormous increase in available computing power and the provision of new software.
All these exciting developments, an more, are discussed in an accessible way here, making the book indispensable reading for graduate students and research scientists in both academic and industrial settings.

Contenuti

Preface. 1. The Monte Carlo Method; D.J. Tildesley. 2. The Molecular Dynamics Method; D.J. Tildesley. 3. Back to Basics; M.P. Allen. 4. Advanced Monte Carlo Techniques; D. Frenkel. 5. Thermodynamic Constraints; M. Ferrario. 6. Computer Simulations in the Gibbs Ensemble; B. Smit. 7. Effective Pair Potentials and Beyond; M. Sprik. 8. First-Principles Molecular Dynamics; G. Galli, A. Pasquarello. 9. Computer Simulation Methods for Nonadiabatic Dynamics in Condensed Systems; D.F. Coker. 10. Long Length-Scale Aspects of Self-Organization Phenomena; K.A. Dawson. 11. Computer Simulation of Polymers; K. Kremer. 12. Computer Simulations of Surfactants; B. Smit. 13. Parallel Computing and Molecular Dynamics Simulations; P.A.J. Hilbers, K. Esselink. 14. Scientific Visualization, a User View; M. Ferrario. List of Posters. Index.