Engineers use graph networks to accurately predict properties of molecules and crystals

Nanoengineers at the University of California San Diego have developed new deep learning models that can accurately predict the properties of molecules and crystals. By enabling almost instantaneous property predictions, these deep learning models provide researchers the means to rapidly scan the nearly-infinite universe of compounds to discover potentially transformative materials for various technological applications, such as high-energy-density Li-ion batteries, warm-white LEDs, and better photovoltaics.