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)

2D Ising Model for Enantiomer Adsorption on Achiral Surfaces: L- and D-Aspartic Acid on Cu(111). - Soham Dutta; Andrew J. Gellman (Entropy, 2022)