Author: Robert Frederick HausmanPublisher:
ISBN:
Category :
Languages : en
Pages : 242
Book Description
A Vector Method for Large Scale Configuration Interaction Problems
Author: Robert Frederick HausmanPublisher:
ISBN:
Category :
Languages : en
Pages : 242
Book Description
Scientific and Technical Aerospace Reports
Author: Energy Research Abstracts
Author: ERDA Energy Research Abstracts
Author: United States. Energy Research and Development AdministrationPublisher:
ISBN:
Category : Power resources
Languages : en
Pages : 1072
Book Description
The Symmetric Group in Quantum Chemistry
Author: R. PaunczPublisher: CRC Press
ISBN: 1351094122
Category : Science
Languages : en
Pages : 260
Book Description
This is the first book to provide comprehensive treatment of the use of the symmetric group in quantum chemical structures of atoms, molecules, and solids. It begins with the conventional Slater determinant approach and proceeds to the basics of the symmetric group and the construction of spin eigenfunctions. The heart of the book is in the chapter dealing with spin-free quantum chemistry showing the great interpretation value of this method. The last three chapters include the unitary group approach, the symmetric group approach, and the spin-coupled valence bond method. An extensive bibliography concludes the book.
Proceedings of the 3rd International Conference on Radiative Properties of Hot Dense Matter III, Williamsburg, Virginia, Oct. 14-18, 1985
Author: In Memory Data Management and Analysis
Author: Arun JagatheesanPublisher: Springer
ISBN: 3319139606
Category : Computers
Languages : en
Pages : 157
Book Description
This book constitutes the thoroughly refereed post conference proceedings of the First and Second International Workshops on In Memory Data Management and Analysis held in Riva del Garda, Italy, August 2013 and Hangzhou, China, in September 2014. The 11 revised full papers were carefully reviewed and selected from 18 submissions and cover topics from main-memory graph analytics platforms to main-memory OLTP applications.
Large-Scale Scientific Computing
Author: Ivan LirkovPublisher: Springer Science & Business Media
ISBN: 3540319948
Category : Computers
Languages : en
Pages : 701
Book Description
This book constitutes the thoroughly refereed post-proceedings of the 5th International Conference on Large-Scale Scientific Computations, LSSC 2005, held in Sozopol, Bulgaria in June 2005. The 75 revised full papers presented together with five invited papers were carefully reviewed and selected for inclusion in the book. The papers are organized in topical sections.
Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules
Author: Antonio Laganà Publisher: Springer Science & Business Media
ISBN: 9400909454
Category : Science
Languages : en
Pages : 436
Book Description
The need for accurate computational procedures to evaluate detailed properties of gas phase chemical reactions is evident when one considers the wealth of information provided by laser, molecular beam and fast How experiments. By stressing ordinary scalar computers to their limiting performance quantum chemistry codes can already provide sufficiently accurate estimates of the stability of several small molecules and of the reactivity of a few elementary processes. However, the accurate characterization of a reactive process, even for small systems, is so demanding in terms of computer resources to make the use of supercomputers having vector and parallel features unavoidable. Sometimes to take full advantage from these features all is needed is a restructure of those parts of the computer code which perform vector and matrix manipulations and a parallel execution of its independent tasks. More often, a deeper restructure has to be carried out. This may involve the problem of choosing a suitable computational strategy or the more radical alternative of changing the theoretical treatment. There are cases, in fact, where theoretical approaches found to be inefficient on a scalar computer exhibit their full computational strength on a supercomputer.
New Paradigms in Flow Battery Modelling
Author: Akeel A. ShahPublisher: Springer Nature
ISBN: 981992524X
Category : Technology & Engineering
Languages : en
Pages : 389
Book Description
This book provides a comprehensive review of the latest modelling developments in flow batteries, as well as some new results and insights. Flow batteries have long been considered the most flexible answer to grid scale energy storage, and modelling is a key component in their development. Recent modelling has moved beyond macroscopic methods, towards mesoscopic and smaller scales to select materials and design components. This is important for both fundamental understanding and the design of new electrode, catalyst and electrolyte materials. There has also been a recent explosion in interest in machine learning for electrochemical energy technologies. The scope of the book includes these latest developments and is focused on advanced techniques, rather than traditional modelling paradigms. The aim of this book is to introduce these concepts and methods to flow battery researcher, but the book would have a much broader appeal since these methods also employed in other battery and fuel cell systems and far beyond. The methods will be described in detail (necessary fundamental material in Appendices). The book appeals to graduate students and researchers in academia/industry working in electrochemical systems, or those working in computational chemistry/machine learning wishing to seek new application areas.