Computer Simulations Of Molecules And Condensed Matter: From Electronic Structures To Molecular Dynamics, Hardback Book

Computer Simulations Of Molecules And Condensed Matter: From Electronic Structures To Molecular Dynamics Hardback

Part of the Peking University-world Scientific Advanced Physics Series series

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

  • Format: Hardback
  • Pages: 280 pages
  • Publisher: World Scientific Publishing Co Pte Ltd
  • Publication Date:
  • Category: States of matter
  • ISBN: 9789813230446

£86.00

£69.95

 
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