Development of Nuclear-Electronic Orbital Methods in Q-Chem 6

Development of Nuclear-Electronic Orbital Methods in Q-Chem 6

Explore the latest developments in nuclear-electronic orbital (NEO) methods implemented in Q-Chem 6 through this informative webinar. Delve into the importance of nuclear quantum effects in chemistry and biology, and learn how the NEO approach efficiently captures these effects in quantum chemistry calculations. Discover new features such as NEO-PCM and NEO-QM/MM approaches, and gain practical insights on initiating NEO Q-Chem jobs. Get a glimpse of upcoming NEO methods currently being implemented. Presented by Mathew Chow, a Ph.D. candidate at Yale University, this webinar builds upon previous discussions of NEO methods and offers valuable knowledge for researchers interested in advanced quantum chemistry techniques.