Force-Free Identification of Minimum-Energy Pathways and Transition States Using Quantum Monte Carlo Methods

Explore force-free identification of minimum-energy pathways and transition states using quantum Monte Carlo methods in this 22-minute conference talk presented by Gopal Iyer from Brown University at the QMCPACK Workshop 2023. Delve into advanced computational techniques for studying chemical reactions and material transformations. Learn about innovative approaches to overcome challenges in traditional force-based methods and gain insights into the application of quantum Monte Carlo simulations for accurate energy landscape mapping. Discover how these cutting-edge methodologies can enhance our understanding of complex molecular systems and catalytic processes.

Force-free minimum-energy pathways and transition states, Gopal Iyer, QMCPACK Workshop 2023, 16/18