Mathematical Challenges from Theoretical/Computational Chemistry - Softcover

Committee On Mathematical Challenges From Computational Chemistry; National Research Council

Softcover

ISBN 10: 0309050979 ISBN 13: 9780309050975

Publisher: National Academies Press, 1995

Synopsis

Computational methods are rapidly becoming major tools of theoretical, pharmaceutical, materials, and biological chemists. Accordingly, the mathematical models and numerical analysis that underlie these methods have an increasingly important and direct role to play in the progress of many areas of chemistry. This book explores the research interface between computational chemistry and the mathematical sciences. In language that is aimed at non-specialists, it documents some prominent examples of past successful cross-fertilizations between the fields and explores the mathematical research opportunities in a broad cross-section of chemical research frontiers. It also discusses cultural differences between the two fields and makes recommendations for overcoming those differences and generally promoting this interdisciplinary work.

Table of Contents

• Front Matter
• Executive Summary
• Introduction
• The Emergence of Computational Chemistry
• Examples of Constructive Cross-Fertilization Between the Mathematical Sciences and Chemistry
• Mathematical Research Opportunities from Theoretical/Computational Chemistry
• Cultural Issues and Barriers to Interdisciplinary Work
• Conclusions and Recommendations
• Afterword
• Glossary

About this title

About the Author

Committee on Mathematical Challenges from Computational Chemistry, National Research Council

Edition details

• Publisher: National Academies Press
• Publication date: 1995
• ISBN 10: 0309050979
• ISBN 13: 9780309050975
• Binding: Paperback
• Language: English
• Number of pages: 144