Chemists have developed a new theoretical framework for more accurately predicting the behavior of catalysts. The study reveals how conditions such as temperature and pressure can change a catalyst's ...

Smaller average interparticle distance. Gold, silver, white and red spheres represent gold, palladium, Silicon and oxygen atoms, respectively. Credit: Harvard SEAS Researchers from the Harvard John A.

Researchers from Utrecht University, Harvard Department of Chemistry & Chemical Biology, and Harvard John A. Paulson School of Engineering and Applied Sciences (SEAS) have reported on a previously ...

A web application for use by experimental chemists created by us. Uploading a file calculated with commercially available software, and the electronic state can be analyzed. We are working on creating ...

Brookhaven Lab chemist Ping Liu and Stony Brook University graduate student Hong Zhang developed a theoretical framework to predict the behavior of catalysts under reaction conditions. The framework ...