A computational method for finding transition states in chemical reactions, greatly reducing computational costs with high reliability, has been devised. Compared to the most widely used existing ...

The process of discovering and designing new chemicals has always been arduous—Sijia Dong wants to change that. As an assistant professor in the department of chemistry and chemical biology, with ...

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 ...

Conical intersections are crucial molecular switching points in light-driven reactions, but accurately predicting them ...

A recent study has revealed that specific patterns of gene activity serve as a hidden map that guides the complex wiring of ...

The typical four-year outline for Michigan Tech's Computational Chemistry and Chemical Informatics bachelor's degree provides a semester-by-semester guide to core courses, labs, and requirements.

New research represents a notable step forward in designing enzymes from scratch. With their approach, the authors designed an enzyme that uses a covalent intermediate to catalyze a two-step reaction, ...