{"title":"Donald G Truhlar","description":null,"products":[{"product_id":"multiparticle-quantum-scattering-with-applications-to-nuclear-atomic-and-molecul-book-donald-g-truhlar-9781461273189","title":"Multiparticle Quantum Scattering with Applications to Nuclear, Atomic and Molecular Physics","description":"The topics in this volume include the ideas of mathematicians, physicists and chemists in the area of multiparticle scattering theory. Scattering theory (or collision theory as it is often called) is a fundamental area of theory and computation in both physics and chemistry. The correct formulation of scattering theory for two-body collisions is now well worked out, but systems with three or more particles still present fundamental unmet challenges, both in the formulations of the problem and in the interpretation of computational results. A key issue in the mathematical foundations is asymptotic completeness, which says that any state of a quantum system is a superposition of bound and scattering states. Key issues on the physical side are concerned with boundary conditions, electromagnetic fields, effective potentials and resonances.","brand":"WoB","offers":[{"title":"GB \/ NEW \/ INGRAM","offer_id":52126337401105,"sku":"NLS9781461273189","price":0.0,"currency_code":"GBP","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0784\/4072\/6801\/files\/9781461273189.jpg?v=1757475605"},{"product_id":"mathematical-frontiers-in-computational-chemical-physics-book-donald-g-truhlar-9781468463651","title":"Mathematical Frontiers in Computational Chemical Physics","description":"This IMA Volume in Mathematics and its Applications MATHEMATICAL FRONTIERS IN COMPUTATIONAL CHEMICAL PHYSICS is in part the proceedings of a workshop which was an integral part of the 1986-87 IMA program on SCIENTIFIC COMPUTATION. We are grateful to the Scientific Committee: Bjorn Engquist (Chairman), Roland Glowinski, Mitchell Luskin and Andrew Majda for planning and implementing an exciting and stimulating year-long program. We especially thank the Workshop Organizer, Donald Truhlar, for organizing a workshop which brought together many of the major figures in a variety of research fields connected with atomic and molecular structure for a fruitful exchange of ideas. Willard Miller, Jr. Hans Weinberger MATHEMATICAL FRONTIERS IN COMPUTATIONAL CHEMICAL PHYSICS PREFACE The Workshop on Atomic and Molecular Structure and Dynamics was held June 15-July 24, 1987 at the Institute for Mathematics and Its Applications on the University of Minnesota Twin Cities campus as part of the 1986-87 I. M. A. Pro- gram on Scientific Computation. There were over 70 participants, including the eleven plenary lecturers whose contributions form the chapters of this volume. The chapters discuss a wide variety of topics in the subject area of the Workshop. Each chapter includes expository material that is especially prepared to introduce the subject to a mathematical audience interested in studying frontier areas in math- ematical chemical physics, and in addition each chapter also discusses challenging problem areas where additional mathematical progress is necessary and desirable for the advancement of the field.","brand":"WoB","offers":[{"title":"GB \/ NEW \/ INGRAM","offer_id":52634050035985,"sku":"NLS9781468463651","price":0.0,"currency_code":"GBP","in_stock":true},{"title":"US \/ NEW \/ INGRAM","offer_id":53570300313873,"sku":"NIN9781468463651","price":0.0,"currency_code":"GBP","in_stock":false}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0784\/4072\/6801\/files\/9781468463651.jpg?v=1785956156"},{"product_id":"multiparticle-quantum-scattering-with-applications-to-nuclear-atomic-and-molecul-book-donald-g-truhlar-9780387949994","title":"Multiparticle Quantum Scattering with Applications to Nuclear, Atomic and Molecular Physics","description":"The topics in this volume include the ideas of mathematicians, physicists and chemists in the area of multiparticle scattering theory. 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Key issues on the physical side are concerned with boundary conditions, electromagnetic fields, effective potentials and resonances.","brand":"WoB","offers":[{"title":"GB \/ NEW \/ INGRAM","offer_id":52674824470801,"sku":"NLS9780387949994","price":0.0,"currency_code":"GBP","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0784\/4072\/6801\/files\/9780387949994.jpg?v=1762300486"},{"product_id":"rational-drug-design-book-donald-g-truhlar-9780387987538","title":"Rational Drug Design","description":"Drug research and discovery are of critical importance in human health care. Computational approaches for drug lead discovery and optimization have proven successful in many recent research programs. These methods have grown in their effectiveness not only because of improved understanding of the basic science - the biological events and molecular interactions that define a target for therapeutic intervention - but also because of advances in algorithms, representations, and mathematical procedures for studying such processes. This volume surveys some of those advances. A broad landscape of high-profile topics in computer-assisted molecular design (CAMD) directed to drug design are included. Subject areas represented in the volume include receptor-based applications such as binding energy approximations, molecular docking, and de novo design; non-receptor-based applications such as molecular similarity; molecular dynamics simulations; solvation and partitioning of a solute between aqueous and nonpolar media; graph theory; non-linear multidimensional optimization, processing of information obtained from simulation studies, global optimization and search strategies, and performance enhancement through parallel computing.","brand":"WoB","offers":[{"title":"GB \/ NEW \/ INGRAM","offer_id":52675563684113,"sku":"NLS9780387987538","price":0.0,"currency_code":"GBP","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0784\/4072\/6801\/files\/9780387987538.jpg?v=1786276986"},{"product_id":"rational-drug-design-book-donald-g-truhlar-9781461271598","title":"Rational Drug Design","description":"Drug research and discovery are of critical importance in human health care. 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Subject areas represented in the volume include receptor-based applications such as binding energy approximations, molecular docking, and de novo design; non-receptor-based applications such as molecular similarity; molecular dynamics simulations; solvation and partitioning of a solute between aqueous and nonpolar media; graph theory; non-linear multidimensional optimization, processing of information obtained from simulation studies, global optimization and search strategies, and performance enhancement through parallel computing.","brand":"WoB","offers":[{"title":"GB \/ NEW \/ INGRAM","offer_id":52677952569617,"sku":"NLS9781461271598","price":0.0,"currency_code":"GBP","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0784\/4072\/6801\/files\/9781461271598.jpg?v=1789044158"}],"url":"https:\/\/www.worldofbooks.com\/en-gb\/collections\/author-books-by-donald-g-truhlar.oembed","provider":"World of Books ","version":"1.0","type":"link"}