Quantum Chemical Simulation (IMAGE) Rice University Caption A quantum chemical simulation (lower panel) depicts the charge transfer (blue/green) between metal atoms and an underlying support (orange). This is but one description of a catalyst's physical behavior, and researchers created a massive database by calculating 330,000 such descriptions for each of many catalysts. Machine learning was used (upper panel) to search the database for hidden patterns that designers can use to make cheaper, more efficient catalysts. Credit Tom Senftle/Rice University Usage Restrictions For news related purposes only. License Licensed content Disclaimer: AAAS and EurekAlert! are not responsible for the accuracy of news releases posted to EurekAlert! by contributing institutions or for the use of any information through the EurekAlert system.