Supercomputing Collision Processes And Applications

Professor Philip G. Burke, CBE, FRS formally retired on 30 September 1998. To recognise this occasion some of his colleagues, friends, and former students decided to hold a conference in his honour and to present this volume as a dedication to his enormous contribution to the theoretical atomic physics community. The conference and this volume of the invited talks reflect very closely those areas with which he has mostly been asso- ated and his influence internationally on the development of atomic physics coupled with a parallel growth in supercomputing. Phil’s wide range of interests include electron-atom/molecule collisions, scattering of photons and electrons by molecules adsorbed on surfaces, collisions involving oriented and chiral molecules, and the development of non-perturbative methods for studying multiphoton processes. His devel- ment of the theory associated with such processes has enabled important advances to be made in our understanding of the associated physics, the interpretation of experimental data, has been invaluable in application to fusion processes, and the study of astrophysical plasmas (observed by both ground- and space-based telescopes). We therefore offer this volume as our token of affection and respect to Philip G. Burke, with the hope that it may also fill a gap in the literature in these important fields.

This edited, multi-author volume contains 14 selected, peer–reviewed contributions based on the presentations given at the 18th International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP XVIII), held at Casa da Cultura de Paraty, Rio de Janeiro, Brazil, in December 2013. It is divided into several sections written by leaders in the respective fields of quantum methodology applied to atomic molecular and condensed matter systems, each containing the most relevant material based on related topics. Recent advances and state-of-the-art developments in the quantum theory of atomic, molecular and condensed matter systems (including bio and nano structures) are presented.

Commencing with a self-contained overview of atomic collision theory, this monograph presents recent developments of R-matrix theory and its applications to a wide-range of atomic molecular and optical processes. These developments include the electron and photon collisions with atoms, ions and molecules which are required in the analysis of laboratory and astrophysical plasmas, multiphoton processes required in the analysis of superintense laser interactions with atoms and molecules and positron collisions with atoms and molecules required in antimatter studies of scientific and technologial importance. Basic mathematical results and general and widely used R-matrix computer programs are summarized in the appendices.

For the past three years, Control Data has cosponsored an applications symposium at one of its CYBER 205 customer sites. Approximately 125 participants from North America and Europe attended each of the three symposia. The Institute for Computational Studies at Colorado State University hosted the first symposium at Fort Collins, Colorado, August 12-13, 1982. The second annual symposium took place in Lanham, Maryland, and was hosted by the NASA Goddard Space Flight Center. This volume contains the proceedings of the Supercomputer Applications symposium held October 31-November 1, 1984, at Purdue University, West Lafayette, Indiana. The purpose of this volume is to provide a forum for users of Control Data's CYBER 205 supercomputer to exchange common experiences and to discuss results of research projects performed on the computer. The unifying theme across the many disciplines is the development of methods and techniques to exploit the computational power of the CYBER 205. Some what surprisingly, these techniques are quite similar and apply to a wide range of problems in physics, chemistry, and engineering.

Scattering is the collision of two objects that results in a change of trajectory and energy. For example, in particle physics, such as electrons, photons, or neutrons are "scattered off" of a target specimen, resulting in a different energy and direction. In the field of electromagnetism, scattering is the random diffusion of electromagnetic radiation from air masses is an aid in the long-range sending of radio signals over geographic obstacles such as mountains. This type of scattering, applied to the field of acoustics, is the spreading of sound in many directions due to irregularities in the transmission medium. Volume I of Scattering will be devoted to basic theoretical ideas, approximation methods, numerical techniques and mathematical modeling. Volume II will be concerned with basic experimental techniques, technological practices, and comparisons with relevant theoretical work including seismology, medical applications, meteorological phenomena and astronomy. This reference will be used by researchers and graduate students in physics, applied physics, biophysics, chemical physics, medical physics, acoustics, geosciences, optics, mathematics, and engineering. This is the first encyclopedic-range work on the topic of scattering theory in quantum mechanics, elastodynamics, acoustics, and electromagnetics. It serves as a comprehensive interdisciplinary presentation of scattering and inverse scattering theory and applications in a wide range of scientific fields, with an emphasis, and details, up-to-date developments. Scattering also places an emphasis on the problems that are still in active current research. The first interdisciplinary reference source on scattering to gather all world expertise in this technique Covers the major aspects of scattering in a common language, helping to widening the knowledge of researchers across disciplines The list of editors, associate editors and contributors reads like an international Who's Who in the interdisciplinary field of scattering

High-dimensional spatio-temporal partial differential equations are a major challenge to scientific computing of the future. Up to now deemed prohibitive, they have recently become manageable by combining recent developments in numerical techniques, appropriate computer implementations, and the use of computers with parallel and even massively parallel architectures. This opens new perspectives in many fields of applications. Kinetic plasma physics equations, the many body Schrodinger equation, Dirac and Maxwell equations for molecular electronic structures and nuclear dynamic computations, options pricing equations in mathematical finance, as well as Fokker-Planck and fluid dynamics equations for complex fluids, are examples of equations that can now be handled. The objective of this volume is to bring together contributions by experts of international stature in that broad spectrum of areas to confront their approaches and possibly bring out common problem formulations and research directions in the numerical solutions of high-dimensional partial differential equations in various fields of science and engineering with special emphasis on chemistry and physics. Information for our distributors: Titles in this series are co-published with the Centre de Recherches Mathematiques.

Quantum Systems in Chemistry and Physics: Progress in Methods and Applications is a collection of 33 selected papers from the scientific contributions presented at the 16th International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XVI), held at Ishikawa Prefecture Museum of Art in Kanazawa, Japan, from September 11th to 17th, 2011. The volume discusses the state of the art, new trends, and the future of methods in molecular quantum mechanics and their applications to a wide range of problems in physics, chemistry, and biology. The breadth and depth of the scientific topics discussed during QSCP-XVI appears in the classification of the contributions in six parts: I. Fundamental Theory II. Molecular Processes III. Molecular Structure IV. Molecular Properties V. Condensed Matter VI. Biosystems. Quantum Systems in Chemistry and Physics: Progress in Methods and Applications is written for advanced graduate students as well as for professionals in theoretical chemical physics and physical chemistry. The book covers current scientific topics in molecular, nano, material, and bio sciences and provides insights into methodological developments and applications of quantum theory in physics, chemistry, and biology that have become feasible at end of 2011.