Machine learning (ML) models have recently become popular in the field of heterogeneous catalyst design. The inherent complexity of the interactions between catalyst components is very high, leading ...

The employment of readily available alcohols as building blocks in C–C coupling reactions has received great research interest. In particular, the deoxygenative homocoupling of benzyl alcohols is ...

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

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 ...

Catalysts are of utmost relevance for the production of chemicals and energy storage with hydrogen. Researchers have now discovered that the formation of bubbles in the pores of a catalyst can be ...

A Northwestern University-led international team of scientists has, for the first time, directly observed catalysis in-action at the atomic level. In mesmerizing new videos, single atoms move and ...