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The art of molecular dynamics simulation
最好的分子动力学模拟全介绍,你值得拥有
The extremely powerful technique of molecular dynamics simulation involves solving
the classical many-body problem in contexts relevant to the study of matter at
the atomistic level. Since there is no alternative approach capable of handling this
broad range of problems at the required level of detail, molecular dynamics methods
have proved themselves indispensable in both pure and applied research. This
book is a blend of tutorial and recipe collection, providing both an introduction to
the subject for beginners and a reference manual for more experienced practitioners.
It is organized as a series of case studies that take the reader through each of
the steps from formulating the problem, developing the necessary software, and
then using the programs to make actual measurements.
2015-04-28
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