Essential Computational Modeling in Chemistry - 9780444537546

Essential Computational Modeling in ChemistryAuthor(s): Philippe G. Ciarlet\nFormat: Paperback\nPublisher: Elsevier Science & Technology, United States\nImprint: North-Holland\nISBN-13: 9780444537546, 978-0444537546\nSynopsis\nEssential Computational Modeling in Chemistry presents key contributions selected from the volume in the Handbook of Numerical Analysis: Computational Modeling in Chemistry Vol. [tel]. 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 computatio.