Machine learning accelerates the discovery of new materials

LOS ALAMOS, N.M., May 9, 2016--Researchers recently demonstrated how an informatics-based adaptive design strategy, tightly coupled to experiments, can accelerate the discovery of new materials with targeted properties, according to a recent paper published in Nature Communications. "What we've done is show that, starting with a relatively small data set of well-controlled experiments, it is possible to iteratively guide subsequent experiments toward finding the material with the desired target," said Turab Lookman, a physicist and materials scientist in the Physics of Condensed Matter and Complex Systems group at Los Alamos National Laboratory. Lookman is the principal investigator of the research project. "Finding new materials has traditionally been guided by intuition and trial and error," said Lookman."But with increasing chemical complexity, the combination possibilities become too large for trial-and-error approaches to be practical." To address this, Lookman, along with his colleagues at Los Alamos and the State Key Laboratory for Mechanical Behavior of Materials in China, employed machine learning to speed up the process.