{"id":1619,"date":"2018-07-18T17:28:09","date_gmt":"2018-07-18T10:28:09","guid":{"rendered":"http:\/\/stang.sc.mahidol.ac.th\/newresources\/?p=1619"},"modified":"2018-07-18T17:28:15","modified_gmt":"2018-07-18T10:28:15","slug":"introduction-to-computational-physical-chemistry","status":"publish","type":"post","link":"https:\/\/stang.sc.mahidol.ac.th\/newresources\/?p=1619","title":{"rendered":"Introduction to computational physical chemistry"},"content":{"rendered":"

\"\"<\/a>AUTHOR<\/strong> :\u00a0 Schrier, Joshua, 1979-<\/p>\n

CALL NO<\/strong> :\u00a0 QD39.3.M3 S379i 2017<\/p>\n

IMPRINT<\/strong> :\u00a0\u00a0 Mill Valley, Calif. : University Science Books, c2017<\/p>\n

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.\u00a0 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.\u00a0 This book is mainly intended to be used in conjunction with an existing physical chemistry text, such as McQuarrie & 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.<\/p>\n