most citedA Multiple Filter Based Neural Network Approach to the Extrapolation of Adsorption Energies on Metal Surfaces for Catalysis Applications

32 citations · 32 across the 1 of their papers we have counts for

collaborators

1 paper

physics.chem-ph2019★ 32 cited

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 +3

Computational catalyst discovery involves the development of microkinetic reactor models based on estimated parameters determined from density functional theory (DFT). For complex…