Computer Simulations Of Molecules And Condensed Matter: From Electronic Structures To Molecular Dynamics Hardback
by Xin-zheng (Peking Univ, China) Li, Enge (Peking Univ, China) Wang
Part of the Peking University-world Scientific Advanced Physics Series series
Hardback
- Information
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.
Information
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Available to Order - This title is available to order, with delivery expected within 2 weeks
- Format:Hardback
- Pages:280 pages
- Publisher:World Scientific Publishing Co Pte Ltd
- Publication Date:08/03/2018
- Category:
- ISBN:9789813230446
Information
-
Available to Order - This title is available to order, with delivery expected within 2 weeks
- Format:Hardback
- Pages:280 pages
- Publisher:World Scientific Publishing Co Pte Ltd
- Publication Date:08/03/2018
- Category:
- ISBN:9789813230446
