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

Genesis Mission awards to PNNL will advance scientific discovery, next-generation energy systems and advanced manufacturing, among others.

PNNL researchers demonstrate high-purity production of two essential gases to ensure a U.S. domestic feedstock for advanced quantum computing.

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

PNNL convenes leaders from the Department of Energy, national laboratories, computing industry and academia for a two-day workshop to advance quantum computing for computational chemistry.

An international research team deployed AI-powered computing to solve important chemical structures for energy applications using NVIDIA hardware.

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

Margaret Cheung elected to premier scientific society.

PNNL set to create a practical path for near-term hybrid classical-quantum computers with NVIDIA accelerated computing.

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.

The Department of Energy, Basic Energy Sciences and Advanced Scientific Computing Research programs will support the partnership’s work on nuclear quantum behavior.

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.

As Laboratory Director Steve Ashby pens his last monthly column, he highlights PNNL’s accomplishments with pride and gratitude.

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

Quantum computing promises leaps in chemistry and materials science, and PNNL is preparing to realize its potential with a collaborative approach.

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.