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

Protein and water environments set the overall redox scale of iron-sulfur clusters, but local coordination geometry fine-tunes the final potential.

New theoretical framings of quantum dynamics enable better quantum-based simulation of molecular systems and dynamics.

Chiral nanotubes facilitate the direction-specific diffusion of carbon dioxide to be faster than nitrogen gas.

Study shows the advantages of top-town proteomics for characterizing histones.

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

A microbial community expresses a phenotype of interest ~20 percent higher than the sum of each member species.

Structural proteomics reveal how cyanobacteria adapt to changing light.

Secretary Wright visited PNNL's campus in Richland, Washington, late last year to meet with innovators in chemistry, biology, computing, and more.

Researchers use multiomics to confirm role of lipid synthesis during infection, leading to model of how to restrict virus replication.

Localized gradients in magnetic fields have long-range effects on the concentration of rare earth ions in solution, facilitating field-driven extraction of critical minerals.

Nanosize platelets of an aluminum material slide and join in a staggered orientation to form larger crystals.

PNNL researchers Daniel Deng and Yehia Ibrahim join the 2025 class of National Academy of Inventors Fellows.

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

IDREAM researchers uncovered how dimeric complexes control how aluminum hydroxide minerals dissolve.

Hydrogen preferentially inserts at grain boundaries between interconnected chains of palladium nanoparticles, which have a lower energy barrier for hydrogen incorporation into the material.

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

Capturing protein structural changes in host cells exposes vulnerabilities exploited by viruses to hijack cellular machinery.

PNNL researchers developed a new computational workflow to study day-to-night gene expression dynamics of cyanobacterium in real time.

A new peptoid force field better predicts the cis/trans equilibrium of peptoids in multiple solvents.