Understanding Molecular Simulation: From Algorithms to Applications. Daan Frenkel, Berend Smit, Daan Frenkel, Berend Smit

Understanding Molecular Simulation: From Algorithms to Applications

Understanding-Molecular.pdf
ISBN: 9780323902922 | 679 pages | 17 Mb

Understanding Molecular Simulation: From Algorithms to Applications
Daan Frenkel, Berend Smit, Daan Frenkel, Berend Smit
Page: 679
Format: pdf, ePub, fb2, mobi
ISBN: 9780323902922
Publisher: Elsevier Science

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Understanding Molecular Simulation explains molecular simulation from a chemical-physics and statistical-mechanics perspective. It highlights how physical concepts are used to develop better algorithms and expand the range of applicability of simulations. Understanding Molecular Simulation is equally relevant for those who develop new code and those who use existing packages. Both groups are continuously confronted with the question of which computational technique best suits a given application. Understanding Molecular Simulation provides readers with the foundational knowledge they need to learn about, select and apply the most appropriate of these tools to their own work. The implementation of simulation methods is illustrated in pseudocodes, and their practical use is shown via case studies presented throughout the text. Since the second edition’s publication, the simulation world has expanded significantly: existing techniques have continued to develop, and new ones have emerged, opening up novel application areas. This new edition aims to describe these new developments without becoming exhaustive; examples are included that highlight current uses, and several new examples have been added to illustrate recent applications. Examples, case studies, questions, and downloadable algorithms are also included to support learning. No prior knowledge of computer simulation is assumed.

Understanding Molecular Simulation: From Algorithms to
This work for nonexperts involved in computer simulation explains the physics behind the techniques of molecular simulation in materials science,
Understanding molecular simulation : from algorithms to
Understanding Molecular Simulations: from Algorithms to Applications. D. Frenkel and B. Smit, Understanding Molecular Simulations: from Algorithms to
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Understanding Molecular Simulation: From Algorithms to
Understanding Molecular Simulation: From Algorithms to Applications (Computational Science), 2nd by Frenkel, Daan; Smit, Berend.
Statistical Mechanics: Theory and Molecular Simulation
Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the recipes of molecular simulation for materials science.
Understanding Molecular Simulation From Algorithms to
General MD books: · Allen & Tildesley - Computer Simulation of Liquids · Frenkel & Smit - Understanding Molecular Simulation: From Algorithms to Application
[PDF] Understanding Molecular Simulation by Daan
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Understanding Molecular Simulation: From Algorithms to
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Both groups are continuously confronted with the question of which computational technique best suits a given application. Understanding Molecular

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