Computer Simulation in Chemical Physics: [proceedings of the Nato Advanced Study Institute on New Perspectives in Computer Simulation in Chemical Physics, Alghero, Sardinia, Italy. September 14-24, 1992]
M. P. Allen, D. J. Tildesley
Springer Science & Business Media, 1993 - Science - 519 pages
Computer Simulation in Chemical Physics contains the proceedings of a NATO Advanced Study Institute held at CORISA, Alghero, Sardinia, in September 1992.
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acceptance algorithm applications approach approximation assume atoms average becomes bond calculations chain charge Chem chemical classical cluster coefficients compared configuration conformations consider constant constraints coordinates correct corresponding coupling critical defined density dependence derived described detailed determined direct discussed distribution dynamics effective electronic energy ensemble equations example expansion expression fact fluid forces free energy function Gibbs given gives important integration interactions interesting ionic ions lattice length limit liquid method molecular molecules monomers Monte Carlo motion move Note nuclear obtained pair parallel particles performed phase Phys Physics polymer positions possible potential present probability problem processor properties quantum region sampling scaling scheme shows simple simulation solid solution space statistical step structure surface techniques temperature term tion trajectory transition trial variables volume
Page ii - NATO ASI Series Advanced Science Institutes Series A Series presenting the results of activities sponsored by the NATO Science Committee, which aims at the dissemination of advanced scientific and technological knowledge, with a view to strengthening links between scientific communities. The Series is published by an...