Projection-based Quantum Mechanical Embedding Methods in Q-Chem - Webinar 67

Projection-based Quantum Mechanical Embedding Methods in Q-Chem - Webinar 67

Explore projection-based quantum mechanical embedding methods in Q-Chem through this informative webinar. Delve into the importance of environmental modeling in computational studies of chemical processes in condensed-phase systems. Learn about Q-Chem's diverse options, including continuum solvation models, hybrid QM/MM methods, and QM embedding approaches. Focus on a robust and formally exact version of projection-based embedding theory implemented in Q-Chem for quantum mechanical incorporation of the environment. Presented by Yuezhi Mao, an Assistant Professor at San Diego State University with extensive experience in theoretical method development and application.