£59.99

Scientific Publishing Computer Simulations Of Molecules And Condensed Matter: From Electronic Structures To Molecular Dynamics (Peking University-world Scientific Advanced Physics Series): 3

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Description

This book provides a relatively complete introduction to the methods used in computational condensed matter. A wide range of electronic structure theories are introduced, including traditional quantum chemistry methods, density functional theory, many-body perturbation theory, and more. Molecular dynamics simulations are also discussed, with extensions to enhanced sampling and free-energy calculation techniques including umbrella sampling, meta-dynamics, integrated tempering sampling, etc. As a further extension beyond the standard Born-Oppenheimer molecular dynamics, some simulation techniques for the description of quantum nuclear effects are also covered, based on Feynman's path-integral representation of quantum mechanics. The book aims to help beginning graduate students to set up a framework of the concepts they should know before tackling the physical/chemical problems they will face in their research.

Product Specifications

Format
Hardcover
Domain
Amazon UK
Release Date
08 March 2018
Listed Since
25 August 2017

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