Q-Chem Webinar 64

Q-Chem 6: Dawn of the Next Generation

Presented by Prof. Martin Head-Gordon on 2022-06-16

Martin Head-Gordon is the Kenneth S. Pitzer Distinguished Professor of Chemistry at the University of California at Berkeley and the Scientific Advisor to Q-Chem, Inc. Dr. Head-Gordon's research group centers on the development of new electronic structure theory methods, and their implementation as efficient computer algorithms. He is recognized with many awards, such as the Medal of the International Academy of Quantum Molecular Sciences (1998) and his election to the American Academy of Arts and Sciences (2011) and the American Chemical Society Fellow (2012).  He has been involved with Q-Chem for a little over 29 years.

Abstract

This webinar describes the main new features that will be available in Q-Chem 6, the next generation of this widely used quantum chemistry software package. With numerous contributions from Q-Chem scientists and our vibrant academic developer community, Q-Chem 6 promises to be a quantum leap forward in quantum mechanics-based computer modeling of molecular properties, reaction mechanisms, catalytic processes, as well as analyzing the interactions responsible for chemistry. Q-Chem 6 introduces a set of entirely new capabilities, a number of new compute algorithms not available in any other code, new quantum chemistry methods not yet available in any other code, and flexible new tools to permit the easy exchange of information between Q-Chem and external applications. Not only is Q-Chem a powerful software suite for performing research in many aspects of chemical science, with the latest version of its IQmol graphical user interface, it is also ideal for teaching and learning quantum chemistry in physical, organic, inorganic and biological chemistry.