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

PNNL researchers outline open problems in different scientific areas in the Journal of Combinatorics.

PNNL’s ARENA test bed analyzes how electrical cables degrade in extreme environments and how nondestructive examination inspection technologies can detect and locate damage.

ExaGO, a power grid simulation and optimization platform developed at PNNL is the first of its kind to run on Frontier.

PNNL and The University of Texas at El Paso expand their premier partnership to include the Cyber Halo Innovation Research Program.

A combined experimental and theoretical study identified multiple interactions that affect the performance of redox-active metal oxides for potential electrochemical separation and quantum computing applications.

Under Secretary for Science and Innovation at the Department of Energy Geri Richmond visited PNNL.

Irradiated boehmite nanoplatelets form smaller aggregates and have a rougher surface than non-irradiated platelets.

Water affects the intermediates present on the surface of a metal oxide catalyst during ketonization.

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

Deep learning helps make predictions on the effects of the El Niño-Southern Oscillation on river flows more accurate.

PNNL welcomes new joint appointments to expand the research productivity and scientific impact of both PNNL and the university partners, broadening the base of expertise at each institution and helping to build interdisciplinary teams.

Combining peptoids and carbon nanotube porins creates a new class of stable membranes with potential applications in separations science.

Machine learning models help identify important environmental properties that influence how often extreme rain events occur with critical intensity and duration.

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.

PNNL researchers combined deep operator networks with spectral methods to efficiently and accurately solve complex equations.

Hydrogen bonding and proton transfer control the identity and reactivity of molecules in highly concentrated and alkaline aluminate solutions.

Cesar Moriel from University of Texas at El Paso will be interning at the PNNL over the summer as part of the Energy Environment Diversity Internship Program.

Within zeolite pores, rates of alcohol dehydration increase with ionic strength until reaching a maximum and then decreasing.