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Computer Simulations of Molecules and Condensed Matter: From Electronic
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Computer Simulations of Molecules and Condensed Matter: From Electronic Structures to Molecular Dynamics Hardback - 2018

by Xin-Zheng Li; Enge Wang

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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.

Details

  • Title Computer Simulations of Molecules and Condensed Matter: From Electronic Structures to Molecular Dynamics
  • Author Xin-Zheng Li; Enge Wang
  • Binding Hardback
  • Pages 280
  • Volumes 1
  • Language ENG
  • Publisher World Scientific Publishing Company
  • Publication date 2018-01-28
  • Features Bibliography
  • ISBN 9789813230446 / 9813230444
  • Weight 1.2 lbs (0.54 kg)
  • Dimensions 9 x 6 x 0.69 in (22.86 x 15.24 x 1.75 cm)
  • Category Science
  • Library of Congress subjects Molecular dynamics - Computer simulation, Condensed matter - Computer simulation
  • Library of Congress Catalogue Number 2017032699
  • Dewey Decimal Code 530.410

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COMPUTER SIMULATIONS OF MOLECULES AND CONDENSED MATTER: FROM ELECTRONIC STRUCTURES TO 3
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COMPUTER SIMULATIONS OF MOLECULES AND CONDENSED MATTER: FROM ELECTRONIC STRUCTURES TO 3

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

by Enge Wang

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Computer Simulations Of Molecules And Condensed Matter: From Electronic Structures To Molecular...
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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)

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COMPUTER SIMULATIONS OF MOLECULES AND CONDENSED MATTER: FROM ELECTRONIC STRUCTURES TO MOLECULAR...
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COMPUTER SIMULATIONS OF MOLECULES AND CONDENSED MATTER: FROM ELECTRONIC STRUCTURES TO MOLECULAR DYNAMICS

by LI XIN-ZHENG & WANG EN-GE

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COMPUTER SIMULATIONS OF MOLECULES AND CONDENSED MATTER

COMPUTER SIMULATIONS OF MOLECULES AND CONDENSED MATTER

by LI XIN-ZHENG

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Hardcover. New. New Book; Fast Shipping from UK; Not signed; Not First Edition; 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 function
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Computer Simulations of Molecules and Condensed Matter: From Electronic Structures to Molecular...
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Computer Simulations of Molecules and Condensed Matter: From Electronic Structures to Molecular Dynamics

by Li, Xin-zheng/ Wang, En-ge

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COMPUTER SIMULATIONS OF MOLECULES AND CONDENSED MATTER: FROM ELECTRONIC STRUCTURES TO MOLECULAR...
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COMPUTER SIMULATIONS OF MOLECULES AND CONDENSED MATTER: FROM ELECTRONIC STRUCTURES TO MOLECULAR DYNAMICS

by LI XIN-ZHENG & WANG EN-GE

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COMPUTER SIMULATIONS OF MOLECULES AND CONDENSED MATTER: FROM ELECTRONIC STRUCTURES TO MOLECULAR DYNAMICS (Peking University-world Scientific Advanced Physics, 3)

by En-Ge Wang

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

by Li Xin-Zheng & Wang En-Ge

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

by Li Xin-Zheng & Wang En-Ge

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9789813230446 / 9813230444
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