Applying Molecular and Materials Modeling

Name: Applying Molecular and Materials Modeling
SKU: 2800790
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Description

Computational molecular and materials modeling has emerged to deliver solid technological impacts in the chemical, pharmaceutical, and materials industries. It is not the all-predictive science fiction that discouraged early adopters in the 1980s. Rather, it is proving a valuable aid to designing and developing new products and processes. People create, not computers, and these tools give them qualitative relations and quantitative properties that they need to make creative decisions. With detailed analysis and examples from around the world, Applying Molecular and Materials Modeling describes the science, applications, and infrastructures that have proven successful. Computational quantum chemistry, molecular simulations, informatics, desktop graphics, and high-performance computing all play important roles. At the same time, the best technology requires the right practitioners, the right organizational structures, and -- most of all -- a clearly understood blend of imagination and realism that propels technological advances. This book is itself a powerful tool to help scientists, engineers, and managers understand and take advantage of these advances.

Release date Australia

October 31st, 2002

Audience

Undergraduate

Contributors

Edited by Anne M Chaka
Edited by Ellen B Stechel
Edited by Keiji Morokuma
Edited by Matthew Neurock
Edited by Peter A. Kollman
Edited by Peter T. Cummings
Edited by Phillip R. Westmoreland
Edited by Priya Vashishta

Illustrations

XXIV, 574 p.

Pages

574

Dimensions

155x235x33

ISBN-13

9781402009068

Product ID

2800790

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Applying Molecular and Materials Modeling

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