A new algorithmic approach breaks apart large quantum problems into smaller subproblems, enabling quantum simulation of more complex systems.

Separating quantum circuit wiring from molecular data allows researchers to more efficiently perform quantum simulations

Scientists uncovered the molecular basis of nitric acid speciation across dilute and concentrated solutions and identified competing hydration-shell rearrangements around lanthanide ions at the dilute limit.

PNNL and its partners are advancing battery energy storage projects nationwide through the Energy Storage for Resiliency Hubs initiative.

Establishing how electronic redistribution, protonation, and solvent rearrangement are coupled during a proton-coupled electron transfer process.

PNNL partners with businesses to test new HVAC technologies at commercial buildings to evaluate the performance of next-generation RTUs.

New software enables the study of nuclear quantum effects in large, condensed phase systems up to 10× faster than traditional methods.

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

PNNL addresses vulnerabilities interconnected to operational technologies by improving cybersecurity with targeted tools and trainings.

A recent article highlighted a PNNL report focused on post-quantum cryptography and electric vehicle charging infrastructure.

Connecting energy generation, electricity storage, and using sensors and control software to track load, including precommercial market marine energy generation technologies.

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

A new patent-pending technology can quickly identify refrigerant leakage in heating, cooling, and refrigeration systems.

An approach combining multiple theories increases the accuracy of quantum-based simulations without increasing computational demands.

Scientists provide a guide for the rational application of continuum descriptions of fluid flows based on interfacial chemistry.

Delivering an integrated quantum-mechanical and experimental perspective on the effects of both intrinsic and externally applied electric fields at atomic-scale interfaces.

Isotopically layered water films and slow heating enable diffusion tracking.

A team combined experiments and theory to predict the collective properties of electrolyte solutions.

The first measurement of the proton diffusion constant at cryogenic temperatures provides insights into the mechanism of proton movement in supercooled water.

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