Titlebook: Computational Multiscale Modeling of Fluids and Solids; Theory and Applicati Martin Oliver Steinhauser Textbook 2022Latest edition Springer

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Computational Methods on?Atomistic/Microscopic Scaleortant MD method, the nuts and bolts of which are discussed in detail in Sect.?.. Here, we provide many tricks of the trade of this method. A discussion of liquids, soft matter and polymers in Sect.?. is then followed by a short discussion of the Monte Carlo method in Sect.?.. A couple of problems are provided at the end of this chapter.

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Computational Multiscale Modeling of Fluids and SolidsTheory and Applicati

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Fundamentals of?Numerical Simulationinally, in Sect.?. some tricks of the trade and important principles in software design and engineering which are not found in other books on computational science are presented. The chapter ends with a couple of problems for the interested reader.

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Computational Methods on Electronic/Atomistic Scaleods. In Sect.?. we look at the different forms of chemical bonding that play a role on a phenomenological level (above the scale of sub-atomic elementary particles). In Sects.?. and . we take a look at semi-empirical methods and the chapter ends with some concluding remarks in Sect.?..

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使困惑

Perspectives in Multiscale Materials Modelingting progress in multiscale computational science can be expected in the area of biological systems where more and more physicists, computer scientists and mathematicians are entering the field of genomics, drug design, systems biology, molecular modeling of enzymes, proteins, lipids and other compl

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