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.

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

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

PNNL has formed a partnership with the Orlando-based firm Refinity, which has licensed a key process from PNNL that will help the company convert mixed plastic waste into valuable industrial products like chemicals, plastics, and fuels.

A research team from Pacific Northwest National Laboratory used machine reasoning to schedule scientific workflows while guaranteeing quality of service (QoS).

The Scientific Discovery through Advanced Computing institute will focus on making scientific machine learning accessible to domain scientists.

In a recent study, PNNL researchers found that noncrystalline mineral surfaces can bind microbial residues to build soil organic matter.

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

This achievement earned DIMPLES a Best Paper award at the ACM International Conference on Supercomputing 2025.

PNNL researchers have found yet another way to turn trash into treasure: using algal biochar, a waste production from hydrothermal liquefaction, as a supplementary material for cement.

Understanding molecular modifications of proteins in the red yeast could help scientists re-engineer the organism’s phenotype.

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.

PNNL chemical engineer Mariefel Olarte shares passion for mentoring students and the next-generation workforce.

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

Francesca Pierobon holds a joint appointment with UW and WSU to advance low-carbon technologies.

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.

Recycling polyolefin materials is challenging. One waste management strategy is plastic upcycling. New work demonstrates a single-step upcycling route coupling cracking and alkylation, recycling carbon and keeping valuable resources active.