Using advanced computer modeling, researchers at the U.S. Department of Energy's Argonne National Laboratory have developed a way to accurately predict the behavior of devices called molecular qubits.

Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

A view inside the trapped-ion quantum computer that carried out a first-of-its-kind simulation of molecular chemistry. A single atom has performed the first full quantum simulations of how certain ...

A new open-source model of brain metabolism, developed by scientists at École Polytechnique Fédérale de Lausanne (EPFL), has shown how altering key chemicals could restore aged cells to their youthful ...

The drug development pipeline is a costly and lengthy process. Identifying high-quality "hit" compounds-those with high potency, selectivity, and favorable metabolic properties-at the earliest stages ...

Boise State faculty from the Department of Chemistry and Biochemistry and the Department of Computer Science were awarded a ...