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Titlebook: Computer Simulation in Chemical Physics; M. P. Allen,D. J. Tildesley Book 1993 Springer Science+Business Media Dordrecht 1993 Monte Carlo

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樓主: 壓榨機
51#
發(fā)表于 2025-3-30 09:40:13 | 只看該作者
Advanced Monte Carlo Techniques,endsen-Wang-style cluster moves, and configurational-bias MC techniques for collective moves of pre-selected particles. Next, I briefly discuss free-energy calculations in the context of first-order phase transitions. I conclude with a discussion of recent advances in grand-canonical simulations of (hybrid) lattice models.
52#
發(fā)表于 2025-3-30 14:54:27 | 只看該作者
Computer Simulations in the Gibbs Ensemble,he interpretation of the results..The practical use of the method is illustrated with applications ranging from polar fluids to chain molecules. In particular, those systems are discussed which require special tricks and extend the range of applicability of the Gibbs method significantly.
53#
發(fā)表于 2025-3-30 16:48:16 | 只看該作者
54#
發(fā)表于 2025-3-30 23:03:27 | 只看該作者
Computer Simulations of Surfactants,interpret experimental data and even suggest new experiments. The computer simulation of micelles is much less advanced. We demonstrate that simulations of micelles are much more difficult then those of the corresponding monolayers, and we present some very simple models that are able to describe a micellar solution.
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