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By D. C. Rapaport

The super robust means of molecular dynamics simulation includes fixing the classical many-body challenge in contexts appropriate to the examine of subject on the atomistic point. on account that there's no substitute technique in a position to dealing with this tremendous wide diversity of difficulties on the required point of aspect, molecular dynamics tools have proved themselves necessary in either natural and utilized study. This e-book, first released in 2004, is a mix of educational and recipe assortment, delivering either an advent to the topic for rookies and a reference guide for the more matured practitioner. it truly is equipped as a chain of case reports that take the reader via all the steps from formulating the matter, constructing the mandatory software program, after which utilizing the courses to make real measurements. the second one version of the publication contains a giant quantity of recent fabric in addition to thoroughly rewritten software.

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The Art of Molecular Dynamics Simulation by D. C. Rapaport

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