Graph Neural Networks (GNN), a cutting-edge approach in artificial intelligence, can significantly improve computational calculations in heterogeneous catalysis. Researchers have made a groundbreaking ...

C coupling reactions have received great research interest. In particular, the deoxygenative homocoupling of benzyl alcohols is regarded as one of the most promising routes to produce bibenzyls.

As part of our laboratory's research initiatives, we are conducting advanced research on the computational modeling and optimization of heterogeneous catalysts for various catalytic processes. This ...