Inverse design of nanoporous crystalline reticular materials with deep generative models. - Zhenpeng Yao; Benjamín Sánchez-Lengeling; N. Scott Bobbitt; Benjamin J. Bucior; Sai Govind Hari Kumar; Sean P. Collins; Thomas Burns; Tom K. Woo; Omar K. Farha; Randall Q. Snurr; Alán Aspuru-Guzik (Nat. Mach. Intell., 2021)

On scientific understanding with artificial intelligence. - Mario Krenn; Robert Pollice; Si Yue Guo; Matteo Aldeghi; Alba Cervera-Lierta; Pascal Friederich; Gabriel dos Passos Gomes; Florian Häse; Adrian Jinich; AkshatKumar Nigam; Zhenpeng Yao; Alán Aspuru-Guzik (CoRR, 2022)

Machine Learning for a Sustainable Energy Future. - Zhenpeng Yao; Yanwei Lum; Andrew Johnston; Luis Martin Mejia-Mendoza; Xin Zhou 003; Yonggang Wen 001; Alán Aspuru-Guzik; Edward H. Sargent; Zhi Wei Seh (CoRR, 2022)