Essential Computational Modeling in Chemistry: A Derivative of Handbook of Numerical Analysis Special Volume: Computation Chemistry, Volume 10 - Softcover

Softcover

ISBN 10: 0444537546 ISBN 13: 9780444537546

Publisher: North Holland, 2010

Synopsis

Essential Computational Modeling in Chemistry presents key contributions selected from the volume in the Handbook of Numerical Analysis: Computational Modeling in Chemistry Vol. 10(2005). Computational Modeling is an active field of scientific computing at the crossroads between Physics, Chemistry, Applied Mathematics and Computer Science. Sophisticated mathematical models are increasingly complex and extensive computer simulations are on the rise. Numerical Analysis and scientific software have emerged as essential steps for validating mathematical models and simulations based on these models. This guide provides a quick reference of computational methods for use in understanding chemical reactions and how to control them. By demonstrating various computational methods in research, scientists can predict such things as molecular properties. The reference offers a number of techniques and the numerical analysis needed to perform rigorously founded computations.

About this title

Review

Presents key selections from the volume in the Handbook of Numerical Analysis: Computational Modeling in Chemistry Vol. 10(2005).

Edition details

• Publisher: North Holland
• Publication date: 2010
• ISBN 10: 0444537546
• ISBN 13: 9780444537546
• Binding: Paperback
• Language: English
• Number of pages: 398
• Editor: Ciarlet Philippe G.