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 ...
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 ...
Computational chemistry methods with an optimal balance between predictive accuracy and computational cost hold major promise for accelerating the discovery of new molecules and materials. We at ...
Develop an in-demand skill set combining a technical understanding of chemistry with expertise in computers and computation. Support advancements in any branch of chemistry. Explore rapidly expanding ...
The Transferring Exascale Computational Chemistry to Cloud Computing Environment and Emerging Hardware Technologies (TEC4) project is accelerating the transition of electronic structure methods to ...
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 ...
The U.S. Department of Energy (DOE) announced Wednesday, Sept. 19, that Roberto Car, Princeton’s Ralph W. *31 Dornte Professor in Chemistry and a professor with the Princeton Institute for the Science ...
Theoretical and computational chemistry unites quantum mechanics, statistical mechanics and algorithmic innovation to predict and rationalise the behaviour of atoms, molecules and materials. At its ...
Some results have been hidden because they may be inaccessible to you
Show inaccessible results
Feedback