TY - BOOK AU - National Research Council TI - Mathematical Challenges from Theoretical/Computational Chemistry SN - 978-0-309-05097-5 DO - 10.17226/4886 PY - 1995 UR - https://nap.nationalacademies.org/catalog/4886/mathematical-challenges-from-theoreticalcomputational-chemistry PB - The National Academies Press CY - Washington, DC LA - English KW - Math, Chemistry, and Physics KW - Surveys and Statistics AB - 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. ER -