Electro- and photocatalytic materials are central to enabling sustainable energy conversion processes such as water splitting, CO2 reduction, oxygen ...

A computational method for finding transition states in chemical reactions, greatly reducing computational costs with high reliability, has been devised. Compared to the most widely used existing ...

ICIQ researchers examine the potential of the Marcus theory to estimate free-energy barriers in energy transfer processes, paving the way for advances in photocatalysis Dr. Albert Solé-Daura and Prof.

Imagine a world where your computer doesn’t just work harder but smarter, tapping into the very chaos that surrounds us. It’s not science fiction—it’s the dawn of probabilistic and thermodynamic ...

Abstract: Six decades ago, the Apollo program ushered in the first integrated-circuit flight computer—the Apollo Guidance Computer—and gave rise to the term “software.” Today, computation permeates ...