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 ...

The integration of computational chemistry with synthetic organic methodologies has ushered in a new era of chemical research, where theoretical predictions and experimental validations work ...

A web platform uses a chatbot to enable any chemist -- including undergraduate chemistry majors -- to configure and execute complex quantum mechanical simulations through chatting. Advanced ...

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

Researchers are finding ways to speed up the pace of computational chemistry through cloud computing. (Illustration by Nathan Johnson / Pacific Northwest National Laboratory) A team led by researchers ...

Computing hasn’t changed fundamentally since the advent of the abacus 4,500 years ago. But that could change imminently as the world ushers in the quantum computer, a radically new type of computing ...

VCCA-2026 is organised by the Computational Chemistry Group in collaboration with the UNESCO Chair of Computational Chemistry of the University of Mauritius. We started with this series of virtual ...

We are looking to recruit and hire highly experienced, motivated, productive, and accomplished scholars/researchers at the forefront of Computational Chemistry, Materials Science, or ...

Do you like both chemistry and computing? Why choose between them? Modern chemistry relies on the latest computer technologies and computing to address global challenges facing the environment and ...