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Titlebook: Computational Materials Science; From Basic Principle W. Hergert,M. Däne,A. Ernst Book 2004 Springer-Verlag Berlin Heidelberg 2004 basics.c

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9. Molecular Dynamics Simulations in Biology, Chemistry and Physics,me successfully, by scientists from chemistry. Martensitic transformation in bulk and nanophase materials, a typical and hitherto not completely solved problem from solid state physics, is used to illustrate the achievements of multimillion atoms simulations.
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Towards A Structure-Based Turbulence Modelped and expanded into new fields in science and technologies, and computer simulations have become an important tool in many areas of academic and industrial research, such as physics, chemistry, biology and nanotechnology. This book focuses on the foundations and practical aspects of computational physics.
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Studies in Theoretical Psycholinguisticsme successfully, by scientists from chemistry. Martensitic transformation in bulk and nanophase materials, a typical and hitherto not completely solved problem from solid state physics, is used to illustrate the achievements of multimillion atoms simulations.
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0075-8450 important technological advances in the future. Methods such as electronic structure calculations, molecular dynamics simulations and beyond are presented, the discussion extending from the basics to the latest applications. .978-3-642-05917-9978-3-540-39915-5Series ISSN 0075-8450 Series E-ISSN 1616-6361
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Barbara Lust,Yu-Chin Chien,Suzanne Flynnructural distortions. Then, we describe the determination of the structure for liquid SiSe. at thermal equilibrium. The microscopic origins of intermediate range order are rationalized in terms of network connectivity and specific features appearing in the structure factors. Overall, first-principle
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Robert C. Berwick,Kenneth Wexlere quantitative information regarding the properties of the simulated mesoscale morphologies. .In mesoscale modeling the familiar atomistic description of the molecules is coarse-grained, leading to beads of fluid (representing the collective degrees of freedom of many atoms). These beads interact th
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11. Integration of Modelling at Various Length and Time Scales,e quantitative information regarding the properties of the simulated mesoscale morphologies. .In mesoscale modeling the familiar atomistic description of the molecules is coarse-grained, leading to beads of fluid (representing the collective degrees of freedom of many atoms). These beads interact th
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