Titlebook: Advances in the Computer Simulatons of Liquid Crystals; Paolo Pasini,Claudio Zannoni Book 2000 Kluwer Academic Publishers 2000 complex flu

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Multiple Time Steps Algorithms for the Atomistic Simulations of Complex Molecular Systems, are represented by a pairwise additive dispersive-repulsive potential and a Coulomb contribution due to the atomic charges. Furthermore, nearby atoms interact through special two body, three body and four body functions representing the valence bonds, bending and torsional interaction energies surfaces.

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Introduction to Simulations and Statistical Mechanics,ents, through linear response theory. Lastly, some technical aspects of Monte Carlo simulation are mentioned, namely importance sampling and the Metropolis method, and, very briefly, the kinds of algorithms used in molecular dynamics.

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Parallel Molecular Dynamics Techniques for the Simulation of Anisotropic Systems,, that can automatically parallelise many programs, have provided a painless route to parallelisation. In addition, the development of that allows purpose-written parallel programs to be ported across many different platforms has removed the problems of . that deterred many people from writing parallel applications.

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Organ and Tissue Transplantationcrystals, and bridging the gap with molecular-scale effects that are hard to model using theories of this kind. Examples will include recent work on structure and dynamics near the isotropic-nematic transition; a study of the smectic-A* twist-grain-boundary phase; and the calculation of orientational elastic coefficients.

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