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

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

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

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.

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

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

In the search for rare physics events, extremely pure materials are essential. A partnership between PNNL and Ultramet has led to tungsten with low contamination from other elements.

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

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

Nineteen PNNL-affiliated researchers have been named to Clarivate’s 2024 list of the world's most highly cited researchers.

In a recent publication in Nature Communications, a team of researchers presents a mathematical theory to address the challenge of barren plateaus in quantum machine learning.

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

A new quantum algorithm speeds up simulations of coupled oscillator dynamics.

Researchers investigated how stable nanoparticle suspensions form using facet engineering on hematite nanoparticles, demonstrating that controlling the faceting of nanoparticles can effectively maintain particle dispersity.

In a new approach, quantum flow algorithms are used to simulate many-body systems on quantum computers and effectively describe chemical processes.

The first study modeling the mechanism of hydrated electron formation from aqueous iodide.