PNNL researchers use chemometric analysis to model chemistry in molten salt.

Machine learning methods and data science can uncover hidden patterns in nanoparticle synthesis conditions and property outcomes.

PNNL researchers comment on the “Adversarial Machine Learning” white paper from the National Institute of Standards and Technology.

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

Researchers created a methodology to design custom network topologies that improve the execution time for scientific applications.

1-propanol converts from a monomer into a trimer at aluminum sites within zeolite pores.

Researchers from PNNL, CSET, and Google DeepMind delved into the potential risks of artificial intelligence in a roundtable discussion.

Pasco School District teachers join PNNL for an immersive teaching experience.

Studying single crystal reactions provides molecular-level insight into catalytic processes.

The Human Factors Symposium took place at Discovery Hall at PNNL in May 2023. Fifty-seven attendees participated in the three-day event representing 15 different institutions.

PNNL researchers present challenges and opportunities for fusing graph neural networks with deep reinforcement learning.

Highly precise and controllable single-atom catalysts are affected by reaction conditions, which can alter the bonding around the atoms and the activity.

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

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

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.

Newly developed models can help rapidly optimize systems to meet the need for rapidly deployable commercial carbon capture.