{"product_id":"9780080502458","title":"Computer Modeling in Inorganic Crystallography","description":"\u003cp\u003eComputer simulation techniques are now having a major impact on almost all areas of the physical and biological sciences. This book concentrates on the application of these methods to inorganic materials, including topical and industrially relevant systems including zeolites and high Tc superconductors.\u003c\/p\u003e \u003cp\u003eThe central theme of the book is the use of modern simulation techniques as a structural tool in solid state science. \u003ci\u003eComputer Modelling in Inorganic Crystallography\u003c\/i\u003e describes the current range of techniques used in modeling crystal structures, and strong emphasis is given to the use of modeling in predicting new crystal structures and refining partially known structures. It also reviews new opportunities being opened up by electronic structure calculation and explains the ways in which these techniques are illuminating our knowledge of bonding in solids.\u003c\/p\u003e\u003cul\u003e\n\u003cli\u003eIncludes a thorough review of the technical basis of relevant contemporary methodologies including minimization, Monte-Carlo, molecular dynamics, simulated annealing methods, and electronic structure methods\u003c\/li\u003e\n\u003cli\u003eHighlights applications to amorphous and crystalline solids\u003c\/li\u003e\n\u003cli\u003eSurveys simulations of surface and defect properties of solids\u003c\/li\u003e\n\u003cli\u003eDiscusses applications to molecular and inorganic solids\u003c\/li\u003e\n\u003c\/ul\u003e","brand":"Elsevier Science","offers":[{"title":"Default Title","offer_id":47079291126000,"sku":"9780080502458","price":170.0,"currency_code":"USD","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0737\/7593\/9824\/files\/9780080502458_p0.jpg?v=1763637496","url":"https:\/\/shop-qa.barnesandnoble.com\/products\/9780080502458","provider":"Barnes \u0026 Noble (DEV)","version":"1.0","type":"link"}