Kavli Affiliate: Kristin A. Persson | First 5 Authors: Janosh Riebesell, Rhys E. A. Goodall, Philipp Benner, Yuan Chiang, Bowen Deng | Summary: Matbench Discovery simulates the deployment of machine learning (ML) energy models in a high-throughput search for stable inorganic crystals. We address the disconnect between (i) thermodynamic stability and formation energy and (ii) […]
Continue.. Matbench Discovery — A framework to evaluate machine learning crystal stability predictions