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 ...

A Brigham Young University faculty member has found a way for students to get hands-on chemistry experience without actually putting their hands on any chemicals. The students work with computer ...

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 ...

The Transferring Exascale Computational Chemistry to Cloud Computing Environment and Emerging Hardware Technologies (TEC4) project is accelerating the transition of electronic structure methods to ...

Chemistry deals with that most fundamental subject: matter. New drugs, materials and batteries all depend on our ability to ...