{ "item_title" : "Computer Simulations of Molecules and Condensed Matter", "item_author" : [" Xin-Zheng Li", "En-Ge Wang "], "item_description" : "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.", "item_img_path" : "https://covers3.booksamillion.com/covers/bam/9/81/323/044/9813230444_b.jpg", "price_data" : { "retail_price" : "102.00", "online_price" : "102.00", "our_price" : "102.00", "club_price" : "102.00", "savings_pct" : "0", "savings_amt" : "0.00", "club_savings_pct" : "0", "club_savings_amt" : "0.00", "discount_pct" : "10", "store_price" : "" } }

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