A research team at National Taiwan University has discovered how single metal atoms dynamically adapt their structure and electronic configuration during electrochemical reactions, dramatically ...

The chemical reactions in heterogeneous catalysis occur at the interface between two different phases of matter. In electrocatalysis, particular emphasis is placed on the solid–liquid interface, which ...

Benchmark timings on a single compute node (32 CPU cores) for PLQM-VM2 calculation of the chemical potential of a protein–ligand complex range from ca. 30–45 min for the single-point energy approaches ...