Articoli correlati a Computer Simulations of Molecules and Condensed Matter:...

Computer Simulations of Molecules and Condensed Matter: From Electronic Structures to Molecular Dynamics: 3 - Rilegato

Libro 3 di 10: Peking University-World Scientific Advanced Physics Series

Li, Xin-zheng; Wang, En-ge

 
9789813230446: Computer Simulations of Molecules and Condensed Matter: From Electronic Structures to Molecular Dynamics: 3
Rilegato
ISBN 10: 9813230444 ISBN 13: 9789813230446
Casa editrice: World Scientific Pub Co Inc, 2018

Sinossi

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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Editore
World Scientific Pub Co Inc
Data di pubblicazione
2018
Lingua
Inglese
ISBN 10 
9813230444
ISBN 13 
9789813230446
Rilegatura
Copertina rigida
Numero di pagine
263
Contatto del produttore
non disponibile
Persona responsabile
GPSR Kontakt
gpsr@libri.de

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