This computational chemist tracks how energy transfers between proteins when he’s not making accessibility tools ...

A diverse group of computational chemists is encouraging the research community to embrace a sustainable software ecosystem. That’s the message behind a recent perspective article published in the ...

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 ...

Computational chemistry and molecular modeling form the backbone of modern theoretical and applied chemical science. These fields utilise advanced quantum mechanical methods and simulation techniques ...

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

By simulating tiny protein changes instead of screening hundreds of kinases, researchers design strong and specific Wee1 ...

The speed and agility of cloud computing opens doors to completing advanced computational chemistry workflows in days instead of months. Some computing challenges are so big that it's necessary to go ...

Advanced computational software is streamlining quantum chemistry research by automating many of the processes of running molecular simulations. The complicated design of these software packages, ...

Olaseni “Seni” Sode, an associate professor of chemistry at Cal State LA, has received a prestigious Fulbright U.S. Scholar Program award to teach and conduct research in France during the 2025-26 ...

UT Austin student Alexia Hartzell has been named a recipient of the prestigious Department of Energy award. Alexia Hartzell, a student studying physical chemistry at The University of Texas at Austin, ...

Most well-studied proteins are folded, meaning they have a defined three-dimensional shape that helps determine each ...

Our department offers doctorate opportunities in a range of traditional research areas, including analytical, inorganic, organic, and physical chemistry, as well as biochemistry. Within these areas, ...