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Author :
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ISBN 13 :
Total Pages : 62 pages
Book Rating : 4.:/5 (359 download)
Download or read book Proceedings, the Minicomputer and Computations in Chemistry written by and published by . This book was released on 1978 with total page 62 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Minicomputer and Computations in Chemistry written by and published by . This book was released on 1978 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The introduction of multiple-precision hardware and longer word lengths has given the minicomputer a much more general potential for chemistry applications. It was the purpose of this workshop to address this potential, particularly as it is related to computations. The workshop brought together persons with minicomputer experience and those who are considering how the minicomputer might enhance their research activities. The workshop sessions were arranged in sequence to address the following questions: (1) Is the general purpose minicomputer an appropriate tool to meet the computational requirements of a chemistry research laboratory. (2) What are the procedures for wisely designing a minicomputer configuration. (3) What special-purpose hardware is available to enhance the speed of a minicomputer. (4) How does one select the appropriate minicomputer and ensure that it can accomplish the tasks for which is was designed. (5) How can one network minicomputers for more efficient and flexible operation. (6) Can one do really large-scale computations on a minicomputer and what modifications are necessary to convert existing programs and algorithms. (7) How can the minicomputer be used to access the maxicomputers at the NRCC. (8) How are computers likely to evolve in the future. (9) What should be the role of the NRCC in relation to minicomputers. This report of the workshop consists mainly of edited transcripts of introductory remarks. These were augmented by relevant bibliographies as an alternative to transcription of the entire workshop. There was no attempt in the workshop to give final answers to the questions that were raised, since the answers are determined in large part by each particular minicomputer environment.
Download or read book Minicomputer and Computations in Chemistry written by and published by . This book was released on 1978 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The introduction of multiple-precision hardware and longer word lengths has given the minicomputer a much more general potential for chemistry applications. It was the purpose of this workshop to address this potential, particularly as it is related to computations. The workshop brought together persons with minicomputer experience and those who are considering how the minicomputer might enhance their research activities. The workshop sessions were arranged in sequence to address the following questions: (1) Is the general purpose minicomputer an appropriate tool to meet the computational requirements of a chemistry research laboratory. (2) What are the procedures for wisely designing a minicomputer configuration. (3) What special-purpose hardware is available to enhance the speed of a minicomputer. (4) How does one select the appropriate minicomputer and ensure that it can accomplish the tasks for which is was designed. (5) How can one network minicomputers for more efficient and flexible operation. (6) Can one do really large-scale computations on a minicomputer and what modifications are necessary to convert existing programs and algorithms. (7) How can the minicomputer be used to access the maxicomputers at the NRCC. (8) How are computers likely to evolve in the future. (9) What should be the role of the NRCC in relation to minicomputers. This report of the workshop consists mainly of edited transcripts of introductory remarks. These were augmented by relevant bibliographies as an alternative to transcription of the entire workshop. There was no attempt in the workshop to give final answers to the questions that were raised, since the answers are determined in large part by each particular minicomputer environment.
Author : Peter George Lykos
Publisher :
ISBN 13 :
Total Pages : 0 pages
Book Rating : 4.:/5 (61 download)
Download or read book Minicomputers and Large Scale Computations written by Peter George Lykos and published by . This book was released on 1977 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : William H. Miller
Publisher :
ISBN 13 :
Total Pages : 104 pages
Book Rating : 4.3/5 ( download)
Download or read book Large Scale Scientific Computation Via Minicomputer written by William H. Miller and published by . This book was released on 1976 with total page 104 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : University of California, Lawrence Berkeley Laboratory, National Resource for Computation in Chemistry
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ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (846 download)
Download or read book The Minicomputer and Computations in Chemistry written by University of California, Lawrence Berkeley Laboratory, National Resource for Computation in Chemistry and published by . This book was released on with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Peter Lykos
Publisher :
ISBN 13 :
Total Pages : 264 pages
Book Rating : 4.:/5 (4 download)
Download or read book Minicomputers and Large Scale Computations written by Peter Lykos and published by . This book was released on 1977 with total page 264 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : James M. Ortega
Publisher : Elsevier
ISBN 13 : 1483272486
Total Pages : 317 pages
Book Rating : 4.4/5 (832 download)
Download or read book Computer Science and Scientific Computing written by James M. Ortega and published by Elsevier. This book was released on 2014-05-10 with total page 317 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computer Science and Scientific Computing contains the proceedings of the Third ICASE Conference on Scientific Computing held in Williamsburg, Virginia, on April l and 2, 1976, under the auspices of the Institute for Computer Applications in Systems Engineering at the NASA Langley Research Center. The conference provided a forum for reviewing all the aspects of scientific computing and covered topics ranging from computer-aided design (CAD) and computer science technology to the design of large hydrodynamics codes. Case studies in reliable computing are also presented. Comprised of 13 chapters, this book begins with an introduction to the use of the hierarchical family concept in the development of scientific programming systems. The discussion then turns to the data structures of scientific computing and their representation and management; some important CAD capabilities required to support aerospace design in the areas of interactive support, information management, and computer hardware advances as well as some computer science developments which may contribute significantly to making such capabilities possible; and the use of symbolic computation systems for problem solving in scientific research. Subsequent chapters deal with computer applications in astrophysics; the possibility of computing turbulence and numerical wind tunnels; and the basis for a general-purpose program for finite element analysis. Software tools for computer graphics are also considered. This monograph will be of value to scientists, systems designers and engineers, and students in computer science who have an interest in the subject of scientific computing.
Author : Michel Dupuis
Publisher : Springer
ISBN 13 : 3642510604
Total Pages : 319 pages
Book Rating : 4.6/5 (425 download)
Download or read book Supercomputer Simulations in Chemistry written by Michel Dupuis and published by Springer. This book was released on 2012-12-06 with total page 319 pages. Available in PDF, EPUB and Kindle. Book excerpt: Awareness of the need and potential of supercomputers for scientific and engineering research has grown tremendously in the past few years. It has culminated in the Super computer Initiative undertaken two years aga by the National Science Foundation and presently under full development in the United States. Similar initiatives are under way in several European countries and in Japan too. Thus the organization of a symposium on 'Supercomputer Simulations in Chemistry' appeared timely, and such a meeting was held in Montreal (Canada) in August 1985, sponsored by IBM-Kingston and IBM-Canada, and organized by Dr. Enrico Clementi and Dr. Michel Dupuis. In connection with this, IBM's support of the Cornell University Supercomputer Center, several projects in the IBM Research Division, the experimental parallel engine (ICAP) assembled at IBM-Kingston, and the announcement (Fall 1985) of an add-on vector feature to the 3090 IBM mainframe underscore IBM's commitment to high-end scientific/engineering computing. The papers presented in this volume discuss topics in quantum mechanical and statis tical mechanical simulations, both of which test the limits of computer hardware and soft ware. Already a great deal of effort has been put into using vector supercomputers in these two areae. Much more is needed and, without doubt, ie bound to happen. To start, an historical perspective of computational quantum chemistry is provided by Professor Löwdin. The contribution by Ohno and co-workers gives an indication of the present status of Japanese supercomputers. Kutzelnigg et al. , Bauschlicher et al. , and Guest et al.
Author : American Chemical Society
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (96 download)
Download or read book Minicomputers and Large Scale Computations written by American Chemical Society and published by . This book was released on 1977 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book COMPUTERS IN CHEMISTRY- PROCEEDINGS OF AN IBM SCIENTIFIC COMPUTING SYMPOSIUM. written by and published by . This book was released on with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
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ISBN 13 :
Total Pages : 1064 pages
Book Rating : 4.3/5 (121 download)
Download or read book Monthly Catalog of United States Government Publications written by and published by . This book was released on with total page 1064 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Joachim Bargon
Publisher : Springer Science & Business Media
ISBN 13 : 1468437283
Total Pages : 337 pages
Book Rating : 4.4/5 (684 download)
Download or read book Computational Methods in Chemistry written by Joachim Bargon and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 337 pages. Available in PDF, EPUB and Kindle. Book excerpt: The papers collected in this volume were presented at an international symposium on Computational Methods in Chemistry. This symposium was sponsored by IBM Germany and was held September 17-19, 1979, in Bad Neuenahr, West Germany. According to Graham Richards [Nature 278, 507 (1979)] the "Third Age of Quantum Chemistry" has started-;-where the results of quantum chemical calculations have become so accurate and reliable that they can guide the experimentalists in their search for the unknown. The particular example highlighted by Richards was the suc cessful prediction and subsequent identification of the relative energies, transition probabilities and geometries of the lowest triplet states of acetylene. The theoretical predictions were based chiefly upon the work of three groups: Kammer [Chern. Phys. Lett. ~, 529 (1970)] had made qualitatively correct predictions; Demoulin [Chern. Phys. 11, 329 (1975)] had calculated the potential energy curves for the two lowest triplet states (3 and 3 ) of B A acetylene; and Wetmore and Schaefer III [J. Chern. Phys. ~~ 1648 (1978)] had determined the geometries of the cis (3B and ~A ) and the trans (3B and 3A ) isomers of these two sta~es. Inua 2 2 guided search, Wendt, Hunziker and Hippler [J. Chern. PHys. 70, 4044 (1979)] succeeded in finding the predicted near infrared absorption of the cis triplet acetylene (no corresponding absorp tion for the trans form was found, which is in agreement with theory), and the resolved structure of the spectrum confirmed the predicted geometries conclusively.
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ISBN 13 :
Total Pages : 1168 pages
Book Rating : 4.:/5 (1 download)
Download or read book Monthly Catalogue, United States Public Documents written by and published by . This book was released on 1980 with total page 1168 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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ISBN 13 :
Total Pages : 288 pages
Book Rating : 4.:/5 (912 download)
Download or read book Proceedings IBM Scientific Computing Symposium on Computers in Chemistry written by and published by . This book was released on 1969 with total page 288 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : International Business Machines Corporation. Data Processing Division
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (841 download)
Download or read book Computers in Chemistry written by International Business Machines Corporation. Data Processing Division and published by . This book was released on 1969 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Stephen Wilson
Publisher : Springer Science & Business Media
ISBN 13 : 1461574161
Total Pages : 256 pages
Book Rating : 4.4/5 (615 download)
Download or read book Methods in Computational Chemistry written by Stephen Wilson and published by Springer Science & Business Media. This book was released on 2013-12-01 with total page 256 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent years have seen the proliferation of new computer designs that employ parallel processing in one form or another in order to achieve maximum performance. Although the idea of improving the performance of computing machines by carrying out parts of the computation concurrently is not new (indeed, the concept was known to Babbage ), such machines have, until fairly recently, been confined to a few specialist research laboratories. Nowadays, parallel computers are commercially available and they are finding a wide range of applications in chemical calculations. The purpose of this volume is to review the impact that the advent of concurrent computation is already having, and is likely to have in the future, on chemical calculations. Although the potential of concurrent computation is still far from its full realization, it is already clear that it may turn out to be second in importance only to the introduction of the electronic digital computer itself.
