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 ...

Researchers developed a machine-learning model that can predict the structures of transition states of chemical reactions in less than a second, with high accuracy. Their model could make it easier ...

Chemists found a way to use electricity to boost a type of chemical reaction often used in synthesizing new candidates for pharmaceutical drugs. The research is an advance in the field of ...

Speeding up chemical reactions is key to improving industrial processes or mitigating unwanted or harmful waste. Realizing these improvements requires that chemists design around documented reaction ...

CatDRX is a generative AI framework developed at Institute of Science Tokyo, which enables the design of new chemical catalysts based on the specific chemical reactions in which they are used. The ...

Note: This video is designed to help the teacher better understand the lesson and is NOT intended to be shown to students. It includes observations and conclusions that students are meant to make on ...

Recent inroads made in chemistry seemingly have little to do with historical techniques that advanced the central science. The discovery of a new organic reaction or mechanism, invention of click ...

Now, researchers at the University of Chicago Pritzker School of Molecular Engineering and the Abdus Salam International ...

As the world moves away from gas towards electricity as a greener power source, the to-do list goes beyond cars. The vast global manufacturing network that makes everything from our batteries to our ...