Scaling deep learning for materials discovery

Scaling deep learning for materials discovery Abstract Novel functional materials enable fundamental breakthroughs across technological applications from clean energy to information processing 1–11 . From microchips to batteries and photovoltaics, discovery of inorganic crystals has been bottlenecked by expensive trial-and-error approaches. Concurrently, deep-learning models for language, vision and biology have showcased emergent predictive capabilities with increasing data and computation 12–...