Download or read book Mathematical Frontiers in Computational Chemical Physics written by Donald G. Truhlar and published by Springer. This book was released on 1988-08-25 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proceedings of the Workshop on Atomar and Molecular Structure and Dynamics, held June 15 - July 24, 1987, at the Institute for Mathematics and Its Applications, University of Minnesota
Download or read book Mathematical Frontiers in Computational Chemical Physics written by Donald G. Truhlar and published by Springer. This book was released on 2012-07-11 with total page 349 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Ima Volumes Mathematical Frontiers In Computational Chemical Physics written by D. G. Truhlar and published by . This book was released on 1988 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Mathematical Challenges from Theoretical Computational Chemistry written by National Research Council and published by National Academies Press. This book was released on 1995-04-29 with total page 144 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational methods are rapidly becoming major tools of theoretical, pharmaceutical, materials, and biological chemists. Accordingly, the mathematical models and numerical analysis that underlie these methods have an increasingly important and direct role to play in the progress of many areas of chemistry. This book explores the research interface between computational chemistry and the mathematical sciences. In language that is aimed at non-specialists, it documents some prominent examples of past successful cross-fertilizations between the fields and explores the mathematical research opportunities in a broad cross-section of chemical research frontiers. It also discusses cultural differences between the two fields and makes recommendations for overcoming those differences and generally promoting this interdisciplinary work.
Download or read book Springer Handbook of Atomic Molecular and Optical Physics written by Gordon W. F. Drake and published by Springer Nature. This book was released on 2023-02-09 with total page 1436 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprises a comprehensive reference source that unifies the entire fields of atomic molecular and optical (AMO) physics, assembling the principal ideas, techniques and results of the field. 92 chapters written by about 120 authors present the principal ideas, techniques and results of the field, together with a guide to the primary research literature (carefully edited to ensure a uniform coverage and style, with extensive cross-references). Along with a summary of key ideas, techniques, and results, many chapters offer diagrams of apparatus, graphs, and tables of data. From atomic spectroscopy to applications in comets, one finds contributions from over 100 authors, all leaders in their respective disciplines. Substantially updated and expanded since the original 1996 edition, it now contains several entirely new chapters covering current areas of great research interest that barely existed in 1996, such as Bose-Einstein condensation, quantum information, and cosmological variations of the fundamental constants. A fully-searchable CD- ROM version of the contents accompanies the handbook.
Download or read book Frontiers in Computational Chemistry written by Zaheer Ul-Haq and published by Bentham Science Publishers. This book was released on 2018-10-03 with total page 246 pages. Available in PDF, EPUB and Kindle. Book excerpt: Frontiers in Computational Chemistry presents contemporary research on molecular modeling techniques used in drug discovery and the drug development process: computer aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. The fourth volume of this series features four chapters covering natural lead compounds, computer aided drug discovery methods in Parkinson’s Disease therapy, studies of aminoacyl tRNA synthetase inhibition in bacteria, computational modeling of halogen bonds in biological systems and molecular classification of caffeine and its metabolites.
Download or read book Mathematical Challenges from Theoretical Computational Chemistry written by Committee on Mathematical Challenges from Computational Chemistry and published by National Academies Press. This book was released on 1995-04-12 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational methods are rapidly becoming major tools of theoretical, pharmaceutical, materials, and biological chemists. Accordingly, the mathematical models and numerical analysis that underlie these methods have an increasingly important and direct role to play in the progress of many areas of chemistry. This book explores the research interface between computational chemistry and the mathematical sciences. In language that is aimed at non-specialists, it documents some prominent examples of past successful cross-fertilizations between the fields and explores the mathematical research opportunities in a broad cross-section of chemical research frontiers. It also discusses cultural differences between the two fields and makes recommendations for overcoming those differences and generally promoting this interdisciplinary work.
Download or read book Computational Chemistry written by Philippe G. Ciarlet and published by Gulf Professional Publishing. This book was released on 1990 with total page 928 pages. Available in PDF, EPUB and Kindle. Book excerpt: Aiming to provide the reader with a general overview of the mathematical and numerical techniques used for the simulation of matter at the microscopic scale, this book lays the emphasis on the numerics, but modelling aspects are also addressed. The contributors come from different scientific communities: physics, theoretical chemistry, mathematical analysis, stochastic analysis, numerical analysis, and the text should be suitable for graduate students in mathematics, sciences and engineering and technology.
Download or read book Chemistry at the Frontier with Physics and Computer Science written by Sergio Rampino and published by Elsevier. This book was released on 2022-05-16 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry at the Frontier with Physics and Computer Science: Theory and Computation shows how chemical concepts relate to their physical counterparts and can be effectively explored via computational tools. It provides a holistic overview of the intersection of these fields and offers practical examples on how to solve a chemical problem from a theoretical and computational perspective, going from theory to models, methods and implementation. Sections cover both sides of the Born-Oppenheimer approximation (nuclear dynamics and electronic structure), chemical reactions, chemical bonding, and cover theory to practice on three related physical problems (wavepacket dynamics, Hartree-Fock equations and electron-cloud redistribution). Drawing on the interdisciplinary knowledge of its expert author, this book provides a contemporary guide to theoretical and computational chemistry for all those working in chemical physics, physical chemistry and related fields. - Combines a 'big picture' overview of chemistry as it relates to physics and computer science, including detailed guidance on tackling chemistry problems from both theoretical and computational perspectives - Treats nuclear dynamics and electronic structure on the same footing in discussions of the Born-Oppenheimer approximation - Includes examples of scientific programming in modern Fortran for problems related to the modeling of chemical reaction dynamics and the analysis of chemical bonding
Download or read book Mathematical Chemistry written by Wei Inu Hong and published by . This book was released on 2010 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mathematical chemistry is the area of research engaged in the novel applications of mathematics to chemistry; it concerns itself principally with the mathematical modelling of chemical phenomena. Mathematical chemistry has also sometimes been called computer chemistry, but should not be confused with computational chemistry. Major areas of research in mathematical chemistry include chemical graph theory, which deals with topics such as the mathematical study of isomerism and the development of topological descriptors or indices which find application in quantitative structure-property relationships; chemical aspects of group theory, which finds applications in stereochemistry and quantum chemistry; and topological aspects of chemistry.
Download or read book Towards Higher Categories written by John C. Baez and published by Springer Science & Business Media. This book was released on 2009-09-24 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt: The purpose of this book is to give background for those who would like to delve into some higher category theory. It is not a primer on higher category theory itself. It begins with a paper by John Baez and Michael Shulman which explores informally, by analogy and direct connection, how cohomology and other tools of algebraic topology are seen through the eyes of n-category theory. The idea is to give some of the motivations behind this subject. There are then two survey articles, by Julie Bergner and Simona Paoli, about (infinity,1) categories and about the algebraic modelling of homotopy n-types. These are areas that are particularly well understood, and where a fully integrated theory exists. The main focus of the book is on the richness to be found in the theory of bicategories, which gives the essential starting point towards the understanding of higher categorical structures. An article by Stephen Lack gives a thorough, but informal, guide to this theory. A paper by Larry Breen on the theory of gerbes shows how such categorical structures appear in differential geometry. This book is dedicated to Max Kelly, the founder of the Australian school of category theory, and an historical paper by Ross Street describes its development.
Download or read book Control and Optimal Design of Distributed Parameter Systems written by John E. Lagnese and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 253 pages. Available in PDF, EPUB and Kindle. Book excerpt: The articles in this volume focus on control theory of systems governed by nonlinear linear partial differential equations, identification and optimal design of such systems, and modelling of advanced materials. Optimal design of systems governed by PDEs is a relatively new area of study, now particularly relevant because of interest in optimization of fluid flow in domains of variable configuration, advanced and composite materials studies and "smart" materials which include possibilities for built in sensing and control actuation. The book will be of interest to both applied mathematicians and to engineers.
Download or read book Flow Control written by Max D. Gunzburger and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 387 pages. Available in PDF, EPUB and Kindle. Book excerpt: The articles in this volume cover recent work in the area of flow control from the point of view of both engineers and mathematicians. These writings are especially timely, as they coincide with the emergence of the role of mathematics and systematic engineering analysis in flow control and optimization. Recently this role has significantly expanded to the point where now sophisticated mathematical and computational tools are being increasingly applied to the control and optimization of fluid flows. These articles document some important work that has gone on to influence the practical, everyday design of flows; moreover, they represent the state of the art in the formulation, analysis, and computation of flow control problems. This volume will be of interest to both applied mathematicians and to engineers.
Download or read book Symmetries and Overdetermined Systems of Partial Differential Equations written by Michael Eastwood and published by Springer Science & Business Media. This book was released on 2009-04-23 with total page 565 pages. Available in PDF, EPUB and Kindle. Book excerpt: This three-week summer program considered the symmetries preserving various natural geometric structures. There are two parts to the proceedings. The articles in the first part are expository but all contain significant new material. The articles in the second part are concerned with original research. All articles were thoroughly refereed and the range of interrelated work ensures that this will be an extremely useful collection.
Download or read book Systems and Control Theory for Power Systems written by Joe H. Chow and published by Springer Science & Business Media. This book was released on 1995-02-24 with total page 436 pages. Available in PDF, EPUB and Kindle. Book excerpt: The articles in this volume cover power system model reduction, transient and voltage stability, nonlinear control, robust stability, computation and optimization and have been written by some of the leading researchers in these areas. This book should be of interest to power and control engineers, and applied mathematicians.
Download or read book Nonlinear Stochastic PDEs written by Tadahisa Funaki and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 319 pages. Available in PDF, EPUB and Kindle. Book excerpt: This IMA Volume in Mathematics and its Applications NONLINEAR STOCHASTIC PDEs: HYDRODYNAMIC LIMIT AND BURGERS' TURBULENCE is based on the proceedings of the period of concentration on Stochas tic Methods for Nonlinear PDEs which was an integral part of the 1993- 94 IMA program on "Emerging Applications of Probability." We thank Tadahisa Funaki and Wojbor A. Woyczynski for organizing this meeting and for editing the proceedings. We also take this opportunity to thank the National Science Foundation and the Army Research Office, whose financial support made this workshop possible. A vner Friedman Willard Miller, Jr. xiii PREFACE A workshop on Nonlinear Stochastic Partial Differential Equations was held during the week of March 21 at the Institute for Mathematics and Its Applications at the University of Minnesota. It was part of the Special Year on Emerging Applications of Probability program put together by an organizing committee chaired by J. Michael Steele. The selection of topics reflected personal interests of the organizers with two areas of emphasis: the hydrodynamic limit problems and Burgers' turbulence and related models. The talks and the papers appearing in this volume reflect a number of research directions that are currently pursued in these areas.
Download or read book Hamiltonian Dynamical Systems written by H.S. Dumas and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: From its origins nearly two centuries ago, Hamiltonian dynamics has grown to embrace the physics of nearly all systems that evolve without dissipation, as well as a number of branches of mathematics, some of which were literally created along the way. This volume contains the proceedings of the International Conference on Hamiltonian Dynamical Systems; its contents reflect the wide scope and increasing influence of Hamiltonian methods, with contributions from a whole spectrum of researchers in mathematics and physics from more than half a dozen countries, as well as several researchers in the history of science. With the inclusion of several historical articles, this volume is not only a slice of state-of-the-art methodology in Hamiltonian dynamics, but also a slice of the bigger picture in which that methodology is imbedded.
