PQI2020 Week 3: Quantum Chemistry

This week's focus is on quantum chemistry and we are pleased to be joined by our featured speaker, Heather Kulik from MIT, and PQI member contributing speakers, Olexandr Isayev from CMU and Peng Liu from University of Pittsburgh.

Olexandr Isayev (CMU) “Supercharging quantum mechanics with artificial intelligence (AI)”

Heather Kulik (MIT) “Molecular design blueprints: new simulation and machine learning tools for inorganic discovery”

Peng Liu (Pitt) "Using Energy Decomposition Analysis to Guide Rational Catalyst Design"