Data-Driven Strategies for Accelerated Materials Design

• Published in: Accounts of chemical research Vol. 54; no. 4; pp. 849 - 860
• Main Authors: Pollice, Robert, dos Passos Gomes, Gabriel, Aldeghi, Matteo, Hickman, Riley J, Krenn, Mario, Lavigne, Cyrille, Lindner-D’Addario, Michael, Nigam, AkshatKumar, Ser, Cher Tian, Yao, Zhenpeng, Aspuru-Guzik, Alán
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 16.02.2021
• Subjects: Algorithms; MATERIALS SCIENCE; Materials,Molecules; Molecular design; Optimization

Conspectus The ongoing revolution of the natural sciences by the advent of machine learning and artificial intelligence sparked significant interest in the material science community in recent years. The intrinsically high dimensionality of the space of realizable materials makes traditional approac...