Computer Simulations of Molecules and Condensed Matter: From Electronic Structures to Molecular Dynamics
| AUTHOR | Wang, Enge; Li, Xin-Zheng; Xin-Zheng Li & En-Ge Wang et al. |
| PUBLISHER | World Scientific Publishing Company (01/28/2018) |
| PRODUCT TYPE | Hardcover (Hardcover) |
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.
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Product Format
Product Details
ISBN-13:
9789813230446
ISBN-10:
9813230444
Binding:
Hardback or Cased Book (Sewn)
Content Language:
English
More Product Details
Page Count:
280
Carton Quantity:
24
Product Dimensions:
6.00 x 0.69 x 9.00 inches
Weight:
1.20 pound(s)
Feature Codes:
Bibliography
Country of Origin:
SG
Subject Information
BISAC Categories
Science | Physics - Condensed Matter
Science | Chemistry - Physical & Theoretical
Dewey Decimal:
530.410
Library of Congress Control Number:
2017032699
Descriptions, Reviews, Etc.
publisher marketing
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.
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List Price $102.00
Your Price
$100.98