Download PDF by Perla Balbuena,Jorge M. Seminario: Molecular Dynamics: From Classical to Quantum Methods

By Perla Balbuena,Jorge M. Seminario

ISBN-10: 0444829105

ISBN-13: 9780444829108

the newest advancements in quantum and classical molecular dynamics, comparable concepts, and their functions to a number of fields of technological know-how and engineering. Molecular simulations contain a wide variety of methodologies similar to Monte Carlo, Brownian dynamics, lattice dynamics, and molecular dynamics (MD).

Features of this book:

• provides advances in methodologies, introduces quantum equipment and lists new ideas for classical MD

• bargains with complicated platforms: biomolecules, aqueous suggestions, ice and clathrates, liquid crystals, polymers

• presents chemical reactions, interfaces, catalysis, floor phenomena and solids

Although the ebook isn't officially divided into equipment and functions, the chapters are prepared beginning with those who talk about new algorithms, tools and strategies, through a number of vital functions.

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Molecular Dynamics: From Classical to Quantum Methods (Theoretical and Computational Chemistry) by Perla Balbuena,Jorge M. Seminario

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