Researchers are developing new ideas about the best ways to make lab-grown diamonds while minimizing other forms of carbon, ...

The process of discovering and designing new chemicals has always been arduous—Sijia Dong wants to change that. As an ...

Researchers are finding ways to speed up the pace of computational chemistry ... published in the Journal of Chemical Physics. Other authors represent PNNL and Microsoft Quantum as well as ...

With the discovery of quantum mechanics, Paul Dirac announced 1 that the underlying laws of chemistry were completely known, the only hitch being that the resulting equations were too difficult to ...

Lithium isotope compositions in Doushantuo cap dolostone reveal diminished weathering and plume influences, shaping our understanding of ancient Earth dynamics.

The speed and agility of cloud computing opens doors to completing advanced computational chemistry workflows in ... outlined in a recent peer-reviewed journal publication, provides a road map ...

The effort, outlined in a recent peer-reviewed journal publication ... the integration of chemistry software development with computer science efforts, quantum computing, novel datasets and ...

Dan Bercovici, Nezar Al-Bataineh, Ramya Srinivasan, and Ram Dhakal UVM chemistry graduate students Dan Bercovici, Nezar Al-Bataineh, Ramya Srinivasan, and Ram Dhakal recently published an article in ...

Robert Aikin, Malcolm Boshier, Luis Chacon, Sara Del Valle. Bottom row, from left: Rod Linn, Kevin Mitchell and Cynthia ...

The effort, outlined in The Journal of Chemical ... for Microsoft's Azure Quantum Elements. "This collaboration with PNNL is a great example of how modern AI [artificial intelligence] and HPC tools ...