The powerful software can reduce the time needed to simulate reactions with large molecules from weeks to just minutes.

By applying new methods of machine learning to quantum chemistry research, Heidelberg University scientists have made significant strides in computational chemistry. They have achieved a major ...

Quantum chemistry calculations offer the best combination of efficiency and accuracy for predicting molecular properties. But the complexity of density functional theory and other methods makes them ...

The department of chemistry and biochemistry of yore might have investigated what chemicals are and how they react with each other. Now, ASU's School of Molecular Sciences renamed itself to reflect ...

Jeffrey Hepburn, a high school chemistry teacher at Central Academy in Des Moines, likes to give his students a little “CPR” in the classroom; that’s chemistry, problem solving, and relevance. “I ...