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 ...

Add Yahoo as a preferred source to see more of our stories on Google. When you buy through links on our articles, Future and its syndication partners may earn a commission. A powerful quantum ...

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 ...

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 ...

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 ...