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 ...

Siemens announces that it has signed an agreement to acquire Culgi, a computational chemistry software company with a focus on multiscale simulations in the process industries. Culgi will join Siemens ...

A powerful quantum chemistry engine is now available that can help scientists tackle complex chemical problems. The new technology could drastically speed up research in drug discovery, materials ...

Floodlight software—a tool that aids in the efficient discovery of vast numbers of chemicals present in a wide variety of substances including food, air and consumer products—was developed by ...