PQI2020 Week 3: Quantum Chemistry
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”
The format is a plenary talk from our outside speaker (40 min, including questions), sandwiched between two shorter talks (20 min each, including questions) from our PQI membership. This is a format that is modeled after the previous PQI20XX events.