Computational chemistry and chemical informatics is at the intersection of chemistry and information technology. You'll develop an in-demand skill set combining a technical understanding of chemistry ...

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 ...

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 ...

Quantinuum was formed in 2021 by the merger of Honeywell Quantum Solutions (quantum hardware) and Cambridge Quantum Computing (quantum software). Quantinuum has released InQuanto, a python-based ...

Excelsior Sciences cofounders say the company will make new molecules using robots and artificial intelligence ...

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 ...

Clinical trials for drug development are notoriously slow and expensive, and only a small fraction of drug candidates end up being approved by the regulatory authorities. The extensive bottlenecks in ...

Using a smart computational search, scientists discovered a catalyst ingredient that finally makes tough alkyl ketones behave the way chemists want. The reaction now runs cleanly and reliably, opening ...

Computational chemistry encompasses the simulation and theoretical modelling of chemical systems, providing insights into reaction dynamics, electronic structure, and molecular interactions. Density ...

Kvantify -- Danish pioneers in quantum computing software -- today announced the launch of its flagship product: Qrunch. Qrunch is an accessible quantum computing solution to actively drive innovation ...

These days it’s hard to imagine chemistry without computers. Not just because they’re indispensable for organizing labs, producing slides, and writing papers, but also because frequently they’re doing ...