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 ...

Establishing a new quantum mechanics/molecular mechanics design principle based on electronic-state responses.

Chemists at UCLA are showing that some of organic chemistry’s most famous “rules” aren’t as unbreakable as once thought. By ...

Computational chemistry encompasses the simulation and theoretical modelling of chemical systems, providing insights into reaction dynamics, electronic structure, and molecular interactions. Density ...

Researchers are finding ways to speed up the pace of computational chemistry through cloud computing. (Illustration by Nathan Johnson / Pacific Northwest National Laboratory) A team led by researchers ...

The last few decades have witnessed a rapid development in the field of computational chemistry, which is now a firmly established and rapidly growing field of chemistry. It has developed into an ...

Kinases are crucial to many signaling pathways, and when they don't work properly, the consequences can lead to problems, including cancer, immune diseases, and neurological disorders. But there are ...

The latest chemistry news, including important research advances, business and policy trends, chemical safety practices, career guidance, and more. Artificial intelligence, says futurist Jamie Metzl, ...