Skip to main content

Applying Molecular and Materials Modeling

  • Book
  • © 2002

Overview

This is a preview of subscription content, log in via an institution to check access.

Access this book

eBook USD 169.00
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book USD 219.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book USD 219.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Other ways to access

Licence this eBook for your library

Institutional subscriptions

Table of contents (11 chapters)

Keywords

About this book

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.

Authors and Affiliations

  • University of Massachusetts Amherst, Amherst, USA

    Phillip R. Westmoreland

  • University of California San Francisco, San Francisco, USA

    Peter A. Kollman

  • National Institute of Standards and Technology, Gaithersburg, USA

    Anne M. Chaka

  • University of Tennessee Knoxville, Knoxville, USA

    Peter T. Cummings

  • Emory University, Atlanta, USA

    Keiji Morokuma

  • University of Virginia, Charlottesville, USA

    Matthew Neurock

  • Ford Motor Company, Dearborn, USA

    Ellen B. Stechel

  • Louisiana State University, Baton Rouge, USA

    Priya Vashishta

Bibliographic Information

  • Book Title: Applying Molecular and Materials Modeling

  • Authors: Phillip R. Westmoreland, Peter A. Kollman, Anne M. Chaka, Peter T. Cummings, Keiji Morokuma, Matthew Neurock, Ellen B. Stechel, Priya Vashishta

  • DOI: https://doi.org/10.1007/978-94-017-0765-7

  • Publisher: Springer Dordrecht

  • eBook Packages: Springer Book Archive

  • Copyright Information: Springer Science+Business Media Dordrecht 2002

  • Hardcover ISBN: 978-1-4020-0906-8Published: 31 October 2002

  • Softcover ISBN: 978-90-481-6134-8Published: 09 December 2010

  • eBook ISBN: 978-94-017-0765-7Published: 17 April 2013

  • Edition Number: 1

  • Number of Pages: XXIV, 574

  • Topics: Computer Applications in Chemistry, Industrial Chemistry/Chemical Engineering, Inorganic Chemistry, Pharmacy

Publish with us