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COMPUTER SIMULATIONS OF MOLECULES AND CONDENSED MATTER: From Electronic Structures to Molecular Dynamics: 3 (PEKING UNIVERSITY-WORLD SCIENTIFIC ADVANCED PHYSICS SERIES) - Tapa dura

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

Wang, En-Ge; Li, Xin-Zheng; XIN-ZHENG LI & EN-GE WANG

 
9789813230446: COMPUTER SIMULATIONS OF MOLECULES AND CONDENSED MATTER: From Electronic Structures to Molecular Dynamics: 3 (PEKING UNIVERSITY-WORLD SCIENTIFIC ADVANCED PHYSICS SERIES)

Sinopsis

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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Acerca del autor

Charlotte y Peter Fiell son dos autoridades en historia, teoría y crítica del diseño y han escrito más de sesenta libros sobre la materia, muchos de los cuales se han convertido en éxitos de ventas. También han impartido conferencias y cursos como profesores invitados, han comisariado exposiciones y asesorado a fabricantes, museos, salas de subastas y grandes coleccionistas privados de todo el mundo. Los Fiell han escrito numerosos libros para TASCHEN, entre los que se incluyen 1000 Chairs, Diseño del siglo XX, El diseño industrial de la A a la Z, Scandinavian Design y Diseño del siglo XXI.

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