A Multiple Filter Based Neural Network Approach to the Extrapolation of Adsorption Energies on Metal Surfaces for Catalysis Applications. - Asif J. Chowdhury; Wenqiang Yang; Kareem E. Abdelfatah; Mehdi Zare; Andreas Heyden; Gabriel Terejanu (CoRR, 2019)

Invariant Molecular Representations for Heterogeneous Catalysis. - Jawad Chowdhury; Charles Fricke; Olajide Bamidele; Mubarak Bello; Wenqiang Yang; Andreas Heyden; Gabriel Terejanu (J. Chem. Inf. Model., 2024)