Graph Neural Network-Accelerated Multitasking Genetic Algorithm for Optimizing PdxTi1-xHy Surfaces under Various CO2 Reduction Reaction Conditions - Ai, Changzhi; Han, Shuang; Yang, Xin; Vegge, Tejs; Hansen, Heine Anton (ACS applied materials & interfaces, 2024)
Keywords: algorithms; alloys; carbon dioxide; energy; hydrides; hydrogen production; palladium; synthesis gas; temperature; uncertainty