Graph Neural Network-Accelerated Multitasking Genetic Algorithm for Optimizing Pd x Ti1–x H y Surfaces under Various CO2 Reduction Reaction Conditions - Ai, Changzhi; Han, Shuang; Yang, Xin; Vegge, Tejs; Hansen, Heine Anton (ACS applied materials & interfaces, 2024)
Keywords: Energy, Environmental, and Catalysis Applications; genetic algorithm; deep learning; Pd x Ti1−x H y; evolutionary multitasking; surface free energy; graph neural network; CO2 reduction; global optimization