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

Computer Simulations Of Molecules And Condensed Matter: From Electronic Structures To Molecular Dynamics in Franklin, TN

Current price: $101.00
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Computer Simulations Of Molecules And Condensed Matter: From Electronic Structures To Molecular Dynamics

Barnes and Noble

Computer Simulations Of Molecules And Condensed Matter: From Electronic Structures To Molecular Dynamics in Franklin, TN

Current price: $101.00
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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.
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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Barnes & Noble is the world’s largest retail bookseller and a leading retailer of content, digital media and educational products. Our Nook Digital business offers a lineup of NOOK® tablets and e-Readers and an expansive collection of digital reading content through the NOOK Store®. Barnes & Noble’s mission is to operate the best omni-channel specialty retail business in America, helping both our customers and booksellers reach their aspirations, while being a credit to the communities we serve.

1800 Galleria Blvd #1310, Franklin, TN 37067, United States

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