En-Ge Wang / Xin-Zheng Li / XIN-ZHENG LI & EN-GE WANG
Librería Perelló (Valencia)
Librería Aciertas (Toledo)
El AlmaZen del Alquimista (Sevilla)
Librería Elías (Asturias)
Librería Kolima (Madrid)
Donde los libros
Librería Proteo (Málaga)
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.
