Computer Simulation in Chemical Physics

Proceedings of the NATO Advanced Study Institute on "New Perspectives in Computer Simulation in Chemical Physics"

M. P. Allen, D. J. Tildesley (Herausgeber)

Buch | Hardcover

532 Seiten

1993
Kluwer Academic Publishers (Verlag)
978-0-7923-2283-2 (ISBN)

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Proceedings of a NATO Study Institute held in Sardinia in 1992, which examined advances that have significantly expanded the scope of the methods. Those such as the Car-Parrinello method, and the Gibbs technique for the direct simulation of liquid vapour phase equilibria are covered in this text.

"Computer Simulation in Chemical Physics" contains the proceedings of a NATO Advanced Study Institute held at CORISA, Alghero, Sardinia, in September 1992. In the years that have elapsed since the field was last summarised there have been a number of 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 vapour 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 recent software. All these developments, and more, are discussed in an accessible way here, making the text suitable reading for graduate students and research scientists in both academic and industrial settings.

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. Frankel. 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 .2 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 Visualisation, a User View; M. Ferrario.

Reihe/Serie	NATO Science Series C ; 397
Zusatzinfo	index
Sprache	englisch
Maße	156 x 234 mm
Gewicht	919 g
Einbandart	gebunden
Themenwelt	Naturwissenschaften ► Chemie ► Physikalische Chemie
Themenwelt	Naturwissenschaften ► Physik / Astronomie ► Allgemeines / Lexika
ISBN-10	0-7923-2283-5 / 0792322835
ISBN-13	978-0-7923-2283-2 / 9780792322832
Zustand	Neuware