Applying Molecular and Materials Modeling - Hardcover

Hardcover

ISBN 10: 1402009062 ISBN 13: 9781402009068

Publisher: Kluwer Academic Publishers, 2002

Synopsis

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.

Edition details

• Publisher: Kluwer Academic Publishers
• Publication date: 2002
• Language: English
• ISBN 10: 1402009062
• ISBN 13: 9781402009068
• Binding: Hardcover
• Number of pages: 598
• Editor: Westmoreland Phillip R., Kollman Peter A., Chaka Anne M., Cummings Peter T., Morokuma Keiji, Neurock Matthew, Stechel Ellen B., Vashishta Priya