Introduction to Computational Physical Chemistry

1st Edition

Joshua Schrier
eISBN-13: 9781938787911

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This book will revolutionize the way physical chemistry is taught by bridging the gap between the traditional "solve a bunch of equations for a very simple model" approach and the computational methods that are used to solve research problems. While some recent textbooks include exercises using pre-packaged Hartree-Fock/DFT calculations, this is largely limited to giving students a proverbial black box. The DIY (do-it-yourself) approach taken in this book helps student gain understanding by building their own simulations from scratch. The reader of this book should come away with the ability to apply and adapt these techniques in computational chemistry to his or her own research problems, and have an enhanced ability to critically evaluate other computational results. This book is mainly intended to be used in conjunction with an existing physical chemistry text, such as McQuarrie and Simon's Physical Chemistry: A Molecular Approach, but it is also well suited as a stand-alone text for upper level undergraduate or intro graduate computational chemistry courses.

Sold By University Science Books
ISBNs 1938787900, 9781938787904, 1938787919, 9781938787911
Publish Year 2017
Language English
Number of Pages 504
Edition 1st
Course Name Physical Chemistry, Computational Chemistry
School Name College/University
Website www.uscibooks.com/schrier.htm

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