Essential Computational Modeling in Chemistry

Philippe G. Ciarlet

ISBN 10: 0444537546 / ISBN 13: 9780444537546

Published by Elsevier Science & Technology, North Holland, 2010

About this Item

This item is printed on demand - it takes 3-4 days longer - Neuware -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. Englisch.

Seller Inventory # 9780444537546

Bibliographic Details

• Title: Essential Computational Modeling in Chemistry
• Publisher: Elsevier Science & Technology, North Holland
• Publication Date: 2010
• Language: English
• ISBN 10: 0444537546
• ISBN 13: 9780444537546
• Binding: Taschenbuch
• Condition: Neu
• Dimensions: 240W x 240H x 165D millimeters 240 millimeters width by 240 millimeters height by 165 millimeters depth
• Weight: 712 grams

About this title

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.

Various viewpoints of methods and applications are available for researchers to chose and experiment with; Numerical analysis and open problems is useful for experimentation; Most commonly used models and techniques for the molecular case is quickly accessible