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 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 ...

On Wednesday, the Nobel Committee announced that it had awarded the Nobel Prize in chemistry to researchers who pioneered major breakthroughs in computational chemistry. These include two researchers ...

Discover how Optibrium is transforming early-stage drug discovery through AI-powered software, generative chemistry, and 3D modelling. In this interview, Matt Segall, CEO at Optibrium, shares insights ...

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 ...