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 ...

I was born in Madras (or Chennai) in India, and grew up in a middle-class family with my father, mother and elder sister. My mother and my sister have been my role models and cheering squad from my ...

The Chemical Engineering PhD program at CU Boulder offers a research-intensive education that prepares students to address complex challenges across various fields. Key research areas include ...

When chemists design new chemical reactions, one useful piece of information involves the reaction's transition state—the point of no return from which a reaction must proceed. This information allows ...

Researchers from MIT and the University of Michigan have discovered a new way to drive chemical reactions that could generate a wide variety of compounds with desirable pharmaceutical properties.

Researchers developed a way to quickly calculate the transition state structure of a chemical reaction, using machine-learning models. During a chemical reaction, molecules gain energy until they ...