Please post any questions related to Q-Chem Webinar 75 (presented August 15, 2024 by Shannon Houck) here!
Abstract:
The Q-Chem open-teamware project, like the field of quantum chemistry itself, has come a long way since 1993! Research groups across the globe use Q-Chem’s code base to develop and pioneer new theoretical chemistry methods, and most of these developers choose to integrate their new methods back into the Q-Chem code for others to use in their own research endeavors. This webinar, given by the Q-Chem office, will highlight many of the cutting-edge features available in the Q-Chem 6 generation, including spectroscopy modeling tools, energy decomposition analysis, DFT performance improvements, quantum mechanochemistry, nuclear-electronic orbital methods, and more!