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

A new computational chemistry software institute, the first of its kind funded by the National Science Foundation, aims to bring software development in the field up to speed with rapid advances in ...

Why the rise of the machines is a good thing for chemistry. No matter your research interests, I'll bet you depend more on computers — databases, scripts, templates, macros, electronic laboratory ...

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

Computational Chemistry Faces a Coding Crisis | RealClearScienceIn October last year, a team of natural product chemists discovered a glitch in a widely used piece of NMR software. Buried deep inside ...

A new computational chemistry software institute, the first of its kind funded by the National Science Foundation, aims to bring software development in the field up to speed with rapid advances in ...