A suite of new modeling methods gives researchers better tools to predict molecular behavior inside cavities.

Darío Gil, DOE's Undersecretary for Science, makes his inaugural visit to PNNL.

Neural networks techniques enable the efficient capture of electron correlation effects in reduced-dimensionality spaces.

Developing a new scheme to more efficiently solve quantum chemistry problems.

CACTUS provides AI-powered cheminformatics for autonomous science.

Pacific Northwest National Laboratory researchers developed a new theoretical method for studying highly correlated systems.

A new approach validates quantum algorithms for low-energy nuclear physics applications