Understanding what complex chemical measurements reveal about materials and reactions can take weeks or months of analysis. But now, an AI-powered platform developed by researchers at the Department ...

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 ...

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 ...

For many decades, the method to obtain atomic-level descriptions of chemical compounds and materials—be it a drug, a catalyst, or a commodity chemical—has been X-ray crystallography. This method has a ...

Matthew Addicoat receives funding from EPSRC and the Royal Society. The universe is flooded with billions of chemicals, each a tiny pinprick of potential. And we’ve only identified 1% of them.

A groundbreaking initiative is bridging the gap between the classroom and the chemical industry. Making information ...