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Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the ""recipes"" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practic

Quantum chemistry --- Statistical physics --- Artificial intelligence. Robotics. Simulation. Graphics --- fysicochemie --- Intermolecular forces --- Molecules --- Forces intermoléculaires --- Molécules --- Computer simulation --- Mathematical models --- Simulation par ordinateur --- Modèles mathématiques --- Computer simulation. --- Mathematical models. --- -Molecules --- -Forces, Intermolecular --- Chemical bonds --- -Computer simulation --- -Chemical bonds --- Forces, Intermolecular --- Forces intermoléculaires --- Molécules --- Modèles mathématiques --- ELSEVIER-B EPUB-LIV-FT --- Intermolecular forces - Computer simulation --- Molecules - Mathematical models --- Acqui 2006