most citedMulti-Task Mixture Density Graph Neural Networks for Predicting Cu-based Single-Atom Alloy Catalysts for CO2 Reduction Reaction

3 citations · 4 across the 2 of their papers we have counts for

collaborators

2 papers

cs.LG2023★ 1 cited

DR-Label: Improving GNN Models for Catalysis Systems by Label Deconstruction and Reconstruction

Bowen Wang, Chen Liang, Jiaze Wang +7

Attaining the equilibrium state of a catalyst-adsorbate system is key to fundamentally assessing its effective properties, such as adsorption energy. Machine learning methods with…

cond-mat.mtrl-sci2022★ 3 cited

Multi-Task Mixture Density Graph Neural Networks for Predicting Cu-based Single-Atom Alloy Catalysts for CO2 Reduction Reaction

Chen Liang, Bowen Wang, Shaogang Hao +3

Graph neural networks (GNNs) have drawn more and more attention from material scientists and demonstrated a high capacity to establish connections between the structure and propert…