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 ...

In this video, the Microsoft Quantum Team describes how Quantum computers have the potential to solve the world’s hardest computational problems and alter the economic, industrial, academic, and ...

Current and former researchers with the Engineer Research and Development Center celebrated the publication of their fourth book in a series on computational chemistry this month. The editors tapped ...

Chemistry, the "science of matter," is the investigation of the fabulously complex interchanges of atoms and bonds that happen constantly throughout our universe and within all living things.

Google knows a thing or two about complex calculations performed across very big data sets. Which is why chemists are borrowing ideas from the search company to help them predict how substances react ...

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 ...

Scientists have mapped the atomic interactions that make nanoscale catalysts so effective at converting propane into propylene. The discovery highlights a stabilizing oxide pattern that could guide ...

A chemist’s impact extends far beyond the lab. With an advanced degree in chemistry, you’ll be a problem-solver. You’ll make a meaningful impact on people and places around the world by ...

Computational chemistry has evolved into a cornerstone of modern chemical research, bridging stringent quantum mechanical principles with practical numerical simulations to predict and elucidate ...