Reproducible workflows for binning and visualizing nuclear magnetic resonance spectra from environmental samples.

PNNL is one of the founding partners of the Trillion Parameter Consortium, which was formed to create reliable generative AI models.

A team of scientists at PNNL developed new computational models to predict the behavior of these impurities and reduce the expense and risk related to actinide metal production.

New research reveals enhanced CO2 transport across a polyether ether ketone membrane and water-lean solvent interface

Researchers from Pacific Northwest National Laboratory created and embedded a physics-informed deep neural network that can learn as it processes data.

IDREAM research shows that keeping only the most important two- and three-body terms in reactive force fields can decrease computational cost by one order of magnitude, while preserving satisfactory accuracy.

Computational chemistry libraries from NWChem, NWChemEX, SPEC, and more are now available on Azure Quantum Elements.

Research from PNNL and the University of Washington demonstrates the extension of the MBE for periodic systems and its use to decompose the lattice energies of different ice polymorphs.

Led by PNNL, the new Cathode-Electrolyte Interphase Consortium has been launched, involving 10 national laboratories and 10 universities.

Advances in understanding the nature of the chemical bond are featured in this special issue of The Journal of Chemical Physics.

A combined experimental and computational approach showed that the hydration shell of hydroxide has a four-coordinate binding.

A combined experimental and modeling study shows that electronic interactions direct how a metal-organic framework grows.

A PNNL-developed computational framework accurately predicts the thermomechanical history and microstructure evolution of materials designed using solid phase processing, allowing scientists to custom design metals with desired properties.

A new approach broadens the reach of quantum computers to previously challenging systems.

Research published in Journal of Manufacturing Processes demonstrates innovative single-step method to manufacture oxide dispersion strengthened copper materials from powder.

Multidisciplinary teams from research and industry are brought together using management systems developed by a team of software engineers at PNNL.

The Co-Optimization of Fuels & Engines initiative recently outlined six years of research in a findings and impact report.

The size of the alkali metal within the material influences the crystallization pathway.

Providing a perspective on the importance of integrating experimental work with theory and simulations when designing new carbon capture solvents.

IDREAM researchers use fast force mapping to provide insights into the boehmite interfacial solution structure.