An Introduction to Electrocatalyst Design using Machine Learning for Renewable Energy Storage. - C. Lawrence Zitnick; Lowik Chanussot; Abhishek Das; Siddharth Goyal; Javier Heras-Domingo; Caleb Ho; Weihua Hu; Thibaut Lavril; Aini Palizhati; Morgane Riviere; Muhammed Shuaibi; Anuroop Sriram; et al. (CoRR, 2020)

The Open Catalyst 2020 (OC20) Dataset and Community Challenges. - Lowik Chanussot; Abhishek Das; Siddharth Goyal; Thibaut Lavril; Muhammed Shuaibi; Morgane Riviere; Kevin Tran; Javier Heras-Domingo; Caleb Ho; Weihua Hu; Aini Palizhati; Anuroop Sriram; et al. (CoRR, 2020)

Methods for comparing uncertainty quantifications for material property predictions. - Kevin Tran; Willie Neiswanger; Junwoong Yoon; Qingyang Zhang; Eric P. Xing; Zachary W. Ulissi (Mach. Learn. Sci. Technol., 2020)

Deep reinforcement learning for predicting kinetic pathways to surface reconstruction in a ternary alloy. - Junwoong Yoon; Zhonglin Cao; Rajesh K. Raju; Yuyang Wang 005; Robert Burnley; Andrew J. Gellman; Amir Barati Farimani; Zachary W. Ulissi (Mach. Learn. Sci. Technol., 2021)