Titlebook: Computer Simulations in Condensed Matter: From Materials to Chemical Biology. Volume 2; Mauro Ferrario,Giovanni Ciccotti,Kurt Binder Book

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Monte Carlo Simulations of Compressible Ising Models: Do We Understand Them?,ere should be four distinct cases that would have different behavior, depending upon symmetries and thermodynamic constraints. We shall provide an account of the results of careful Monte Carlo simulations for a simple compressible Ising model that can be suitably modified so as to replicate all four cases.

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Drug-Target Binding Investigated by Quantum Mechanical/Molecular Mechanical (QM/MM) Methods,ples and applications of Car-Parrinello quantum mechanics/molecular mechanics (QM/MM) simulations. From this discussion, this approach emerges as a computational methodology particularly well suited to investigate covalent binding in systems of pharmacological relevance.

AGATE

Book 2006 methods and their applications in condensed matter systems. Volume 1, published as LNP 703 (ISBN 3-540-35270-8) is an in-depth introduction to a vast spectrum of computational techniques for statistical mechanical systems of condensed matter. It will enable the graduate student and both the special

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丰富

Computer Simulation of Colloidal Suspensions, from microscopic over mesoscopic to macroscopic length scales. This is illustrated explicitly for charged colloidal suspensions and for star polymer solutions. A particular emphasis is placed on density functional theory.

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Mesoscopic Simulations for Problems with Hydrodynamics, with Emphasis on Polymer Dynamics,ost popular mesoscopic models are lattice Boltzmann and Dissipative Particle Dynamics. These methods are briefly discussed and contrasted. We describe a recent application of such an approach to the problem of hydrodynamic screening.

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