Download or read book Quantum Chemistry and Dynamics of Excited States written by Leticia González and published by John Wiley & Sons. This book was released on 2021-02-01 with total page 52 pages. Available in PDF, EPUB and Kindle. Book excerpt: An introduction to the rapidly evolving methodology of electronic excited states For academic researchers, postdocs, graduate and undergraduate students, Quantum Chemistry and Dynamics of Excited States: Methods and Applications reports the most updated and accurate theoretical techniques to treat electronic excited states. From methods to deal with stationary calculations through time-dependent simulations of molecular systems, this book serves as a guide for beginners in the field and knowledge seekers alike. Taking into account the most recent theory developments and representative applications, it also covers the often-overlooked gap between theoretical and computational chemistry. An excellent reference for both researchers and students, Excited States provides essential knowledge on quantum chemistry, an in-depth overview of the latest developments, and theoretical techniques around the properties and nonadiabatic dynamics of chemical systems. Readers will learn: ● Essential theoretical techniques to describe the properties and dynamics of chemical systems ● Electronic Structure methods for stationary calculations ● Methods for electronic excited states from both a quantum chemical and time-dependent point of view ● A breakdown of the most recent developments in the past 30 years For those searching for a better understanding of excited states as they relate to chemistry, biochemistry, industrial chemistry, and beyond, Quantum Chemistry and Dynamics of Excited States provides a solid education in the necessary foundations and important theories of excited states in photochemistry and ultrafast phenomena.
Download or read book Applied Parallel Computing Computations in Physics Chemistry and Engineering Science written by Jack Dongarra and published by Springer Science & Business Media. This book was released on 1996-02-27 with total page 582 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents the refereed proceedings of the Second International Workshop on Applied Parallel Computing in Physics, Chemistry and Engineering Science, PARA'95, held in Lyngby, Denmark, in August 1995. The 60 revised full papers included have been contributed by physicists, chemists, and engineers, as well as by computer scientists and mathematicians, and document the successful cooperation of different scientific communities in the booming area of computational science and high performance computing. Many widely-used numerical algorithms and their applications on parallel computers are treated in detail.
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 692 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book American Doctoral Dissertations written by and published by . This book was released on 2002 with total page 776 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Fermion Algorithms Proceedings Of The Workshop written by Frithjof Karsch and published by World Scientific. This book was released on 1991-11-01 with total page 262 pages. Available in PDF, EPUB and Kindle. Book excerpt: Novel Monte Carlo Algorithms for Fermionic Systems are badly needed in high energy and solid state physics. At this workshop the newest developments in this direction were presented, in particular those concerning multi-grid techniques, cluster algorithms and massively parallel implementations.
Download or read book High Performance Computing written by R.J. Allan and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 567 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the past decade high performance computing has demonstrated the ability to model and predict accurately a wide range of physical properties and phenomena. Many of these have had an important impact in contributing to wealth creation and improving the quality of life through the development of new products and processes with greater efficacy, efficiency or reduced harmful side effects, and in contributing to our ability to understand and describe the world around us. Following a survey ofthe U.K.'s urgent need for a supercomputingfacility for aca demic research (see next chapter), a 256-processor T3D system from Cray Research Inc. went into operation at the University of Edinburgh in the summer of 1994. The High Performance Computing Initiative, HPCI, was established in November 1994 to support and ensure the efficient and effective exploitation of the T3D (and future gen erations of HPC systems) by a number of consortia working in the "frontier" areas of computational research. The Cray T3D, now comprising 512 processors and total of 32 CB memory, represented a very significant increase in computing power, allowing simulations to move forward on a number offronts. The three-fold aims of the HPCI may be summarised as follows; (1) to seek and maintain a world class position incomputational scienceand engineering, (2) to support and promote exploitation of HPC in industry, commerce and business, and (3) to support education and training in HPC and its application.
Download or read book Large Scale Computational Physics On Massively Parallel Computers written by Hans J Herrmann and published by World Scientific. This book was released on 1993-12-27 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: Contents:A Lattice Solid Model for the Nonlinear Dynamics of Earthquakes (P Mora & D Place)Vectorized and Parallelized Algorithms for Multi-Million Particle MD-Simulations (W Form et al)Green-Function Method for Electronic Structure of Periodic Crystals (R Zeller)Parallelization of the Ising Simulation (N Ito)A Nonlocal Approach to Vertex Models and Quantum Spin Systems (H G Evertz & M Marcu)The Static Quark-Antiquark-Potential: A ‘Classical’ Experiment on the Connection Machine CM-2 (K Schilling & G S Bali)Determination of Monopole Current Clusters in Four-Dimensional Quantum Electrodynamics (A Bode et al)QCD Calculations on the QCDPAX (K Kanaya)UKQCD — Recent Results and Future Prospects (R Kenway)Programming Tools for Parallel Computers (K J M Moriarity & T Trappenberg)Workstation Clusters: One Way to Parallel Computing (M Weber)APE100 and Beyond (R Tripiccione)and other papers Readership: Computational physicists. keywords:
Download or read book Enhancing the Quantum Monte Carlo Method for Electronic Properties of Large Molecules and Excited States written by Brian Michael Austin and published by . This book was released on 2009 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Contemporary High Performance Computing written by Jeffrey S. Vetter and published by CRC Press. This book was released on 2019-05-08 with total page 478 pages. Available in PDF, EPUB and Kindle. Book excerpt: Contemporary High Performance Computing: From Petascale toward Exascale, Volume 3 focuses on the ecosystems surrounding the world’s leading centers for high performance computing (HPC). It covers many of the important factors involved in each ecosystem: computer architectures, software, applications, facilities, and sponsors. This third volume will be a continuation of the two previous volumes, and will include other HPC ecosystems using the same chapter outline: description of a flagship system, major application workloads, facilities, and sponsors. Features: Describes many prominent, international systems in HPC from 2015 through 2017 including each system’s hardware and software architecture Covers facilities for each system including power and cooling Presents application workloads for each site Discusses historic and projected trends in technology and applications Includes contributions from leading experts Designed for researchers and students in high performance computing, computational science, and related areas, this book provides a valuable guide to the state-of-the art research, trends, and resources in the world of HPC.
Download or read book Tomosynthesis Imaging written by Ingrid Reiser and published by Taylor & Francis. This book was released on 2016-04-19 with total page 246 pages. Available in PDF, EPUB and Kindle. Book excerpt: An innovative, three-dimensional x-ray imaging technique that enhances projection radiography by adding depth resolution, Tomosynthesis Imaging explores tomosynthesis, an emerging limited-angle tomographic imaging technology that is being considered for use in a range of clinical applications, and is currently being used for breast cancer screening
Download or read book Energy Research Abstracts written by and published by . This book was released on 1993 with total page 490 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book IBM Systems Journal written by International Business Machines Corporation and published by . This book was released on 2001 with total page 1044 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book High Performance Computing in Biomedical Research written by Theo C. Pilkington and published by CRC Press. This book was released on 2020-09-10 with total page 558 pages. Available in PDF, EPUB and Kindle. Book excerpt: Leading researchers have contributed state-of-the-art chapters to this overview of high-performance computing in biomedical research. The book includes over 30 pages of color illustrations. Some of the important topics featured in the book include the following:
Download or read book Dissertation Abstracts International written by and published by . This book was released on 2003 with total page 674 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Exact Methods in Low dimensional Statistical Physics and Quantum Computing written by Stephane Ouvry and published by Oxford University Press. This book was released on 2010-04-22 with total page 651 pages. Available in PDF, EPUB and Kindle. Book excerpt: Low-dimensional statistical models are instrumental in improving our understanding of emerging fields, such as quantum computing and cryptography, complex systems, and quantum fluids. This book of lectures by international leaders in the field sets these issues into a larger and more coherent theoretical perspective than is currently available.
Download or read book Thermal Radiation Heat Transfer written by John R. Howell and published by CRC Press. This book was released on 2020-12-10 with total page 967 pages. Available in PDF, EPUB and Kindle. Book excerpt: The seventh edition of this classic text outlines the fundamental physical principles of thermal radiation, as well as analytical and numerical techniques for quantifying radiative transfer between surfaces and within participating media. The textbook includes newly expanded sections on surface properties, electromagnetic theory, scattering and absorption of particles, and near-field radiative transfer, and emphasizes the broader connections to thermodynamic principles. Sections on inverse analysis and Monte Carlo methods have been enhanced and updated to reflect current research developments, along with new material on manufacturing, renewable energy, climate change, building energy efficiency, and biomedical applications. Features: Offers full treatment of radiative transfer and radiation exchange in enclosures. Covers properties of surfaces and gaseous media, and radiative transfer equation development and solutions. Includes expanded coverage of inverse methods, electromagnetic theory, Monte Carlo methods, and scattering and absorption by particles. Features expanded coverage of near-field radiative transfer theory and applications. Discusses electromagnetic wave theory and how it is applied to thermal radiation transfer. This textbook is ideal for Professors and students involved in first-year or advanced graduate courses/modules in Radiative Heat Transfer in engineering programs. In addition, professional engineers, scientists and researchers working in heat transfer, energy engineering, aerospace and nuclear technology will find this an invaluable professional resource. Over 350 surface configuration factors are available online, many with online calculation capability. Online appendices provide information on related areas such as combustion, radiation in porous media, numerical methods, and biographies of important figures in the history of the field. A Solutions Manual is available for instructors adopting the text.
Download or read book Complex Intelligent and Software Intensive Systems written by Leonard Barolli and published by Springer. This book was released on 2017-07-04 with total page 1083 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book gathers the proceedings of the 11th International Conference on Complex, Intelligent, and Software Intensive Systems (CISIS-2017), held on June 28–June 30, 2017 in Torino, Italy. Software Intensive Systems are characterized by their intensive interaction with other systems, sensors, actuators, devices, and users. Further, they are now being used in more and more domains, e.g. the automotive sector, telecommunication systems, embedded systems in general, industrial automation systems and business applications. Moreover, the outcome of web services delivers a new platform for enabling software intensive systems. Complex Systems research is focused on the understanding of a system as a whole rather than its components. Complex Systems are very much shaped by the changing environments in which they operate, and by their multiple internal and external interactions. They evolve and adapt through internal and external dynamic interactions. The development of Intelligent Systems and agents, which invariably involves the use of ontologies and their logical foundations, offers a fruitful impulse for both Software Intensive Systems and Complex Systems. Recent research in the fields of intelligent systems, robotics, neuroscience, artificial intelligence, and cognitive sciences is essential to the future development of and innovations in software intensive and complex systems. The aim of the volume “Complex, Intelligent and Software Intensive Systems” is to provide a platform of scientific interaction between the three interwoven and challenging areas of research and development of future Information and Communications Technology (ICT)-enabled applications: Software Intensive Systems, Complex systems and Intelligent Systems.
