Kavli Affiliate: Kristin A. Persson | First 5 Authors: Janosh Riebesell, Rhys E. A. Goodall, Anubhav Jain, Philipp Benner, Kristin A. Persson | 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 […]
Continue.. Matbench Discovery — An evaluation framework for machine learning crystal stability prediction