Computer Simulations Of Molecules And Condensed Matter From Electronic Structures To Molecular Dynamics is popular PDF and ePub book, written by Xin-zheng Li in 2018-01-18, it is a fantastic choice for those who relish reading online the Science genre. Let's immerse ourselves in this engaging Science book by exploring the summary and details provided below. Remember, Computer Simulations Of Molecules And Condensed Matter From Electronic Structures To Molecular Dynamics can be Read Online from any device for your convenience.
Computer Simulations Of Molecules And Condensed Matter From Electronic Structures To Molecular Dynamics Book PDF Summary
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.
Detail Book of Computer Simulations Of Molecules And Condensed Matter From Electronic Structures To Molecular Dynamics PDF
- Author : Xin-zheng Li
- Release : 18 January 2018
- Publisher : World Scientific
- ISBN : 9789813230460
- Genre : Science
- Total Page : 280 pages
- Language : English
- PDF File Size : 13,7 Mb
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