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Supercomputer and Chemistry

Supercomputer and Chemistry PDF Author: Uwe Harms
Publisher: Springer Science & Business Media
ISBN: 3642759173
Category : Science
Languages : en
Pages : 143
Book Description
This volume represents the contributions of the 1989 IABG workshop on supercomputers and chemistry.

Supercomputer and Chemistry

Supercomputer and Chemistry PDF Author: Uwe Harms
Publisher: Springer Science & Business Media
ISBN: 3642759173
Category : Science
Languages : en
Pages : 143
Book Description
This volume represents the contributions of the 1989 IABG workshop on supercomputers and chemistry.

Supercomputer and Chemistry 2

Supercomputer and Chemistry 2 PDF Author: Uwe Harms
Publisher: Springer Science & Business Media
ISBN: 3642501753
Category : Science
Languages : en
Pages : 168
Book Description
Ottobrunn, November 19-20, 1990

Supercomputer Simulations in Chemistry

Supercomputer Simulations in Chemistry PDF Author: Michel Dupuis
Publisher: Springer
ISBN: 3642510604
Category : Science
Languages : en
Pages : 312
Book Description
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.

Supercomputer and Chemistry

Supercomputer and Chemistry PDF Author: Uwe Harms
Publisher: Springer
ISBN: 9783540529156
Category : Science
Languages : en
Pages : 0
Book Description


Supercomputer and Chemistry

Supercomputer and Chemistry PDF Author: Uwe Harms
Publisher: Springer Verlag
ISBN: 9780387529158
Category : Science
Languages : en
Pages : 142
Book Description


Computational Chemistry And Chemical Engineering - Proceedings Of The Third Unam-cray Supercomputing Confrence

Computational Chemistry And Chemical Engineering - Proceedings Of The Third Unam-cray Supercomputing Confrence PDF Author: Cisneros Gerardo
Publisher: World Scientific
ISBN: 9814545805
Category : Chemical engineering -- Data processing -- Congresses
Languages : en
Pages : 420
Book Description
This book provides a wide-ranging and up-to-date description of state-of-the-art computational methodologies in chemistry and chemical engineering. It displays a representative mix of topics on the computation and modeling of chemical systems of all sizes, from the very small (atomic) to the very large (industrial). The book constitutes an excellent overview for graduate students as well as a critical update for researchers.

Supercomputers in Chemistry

Supercomputers in Chemistry PDF Author: Peter Lykos
Publisher: Amer Chemical Society
ISBN:
Category : Computers
Languages : en
Pages : 296
Book Description


Supercomputer and Chemistry 2

Supercomputer and Chemistry 2 PDF Author: Uwe Harms
Publisher: Springer Verlag
ISBN:
Category : Science
Languages : en
Pages : 180
Book Description


Supercomputer Simulations in Chemistry

Supercomputer Simulations in Chemistry PDF Author: IBM-Kingston
Publisher: Berlin ; New York : Springer-Verlag
ISBN:
Category : Chemistry
Languages : en
Pages : 324
Book Description
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.

Reviews in Computational Chemistry

Reviews in Computational Chemistry PDF Author: Kenny B. Lipkowitz
Publisher: John Wiley & Sons
ISBN: 0471458813
Category : Science
Languages : en
Pages : 432
Book Description
Computational chemistry is increasingly used in most areas ofmolecular science including organic, inorganic, medicinal,biological, physical, and analytical chemistry. Researchers inthese fields who do molecular modelling need to understand and staycurrent with recent developments. This volume, like those prior toit, features chapters by experts in various fields of computationalchemistry. Two chapters focus on molecular docking, one of whichrelates to drug discovery and cheminformatics and the other toproteomics. In addition, this volume contains tutorials onspin-orbit coupling and cellular automata modeling, as well as anextensive bibliography of computational chemistry books. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistryremains the most valuable reference to methods and techniques incomputational chemistry."—JOURNAL OF MOLECULAR GRAPHICS ANDMODELLING "One cannot generally do better than to try to find anappropriate article in the highly successful Reviews inComputational Chemistry. The basic philosophy of the editors seemsto be to help the authors produce chapters that are complete,accurate, clear, and accessible to experimentalists (in particular)and other nonspecialists (in general)."—JOURNAL OF THEAMERICAN CHEMICAL SOCIETY