PICS Colloquium: Enabling computationally efficient first-principles kinetic simulations in nanoporous catalysts using machine learning and data science with Brandon Bukowski

PICS Large Conference Room – 534 3401 Walnut Street, 5A, Philadelphia, PA, United States

Abstract: Machine learning tools have tremendous potential to accelerate computationally complex physics-based simulations. One example is the need to accelerate materials discovery through first-principles Density Functional Theory (DFT) calculations. This […]