Scientists at PNNL harnessing advances in deep learning, deep reinforcement learning and generative AI to change how science is conducted and achieve original scientific results and breakthroughs.

PNNL computing experts Robert Rallo and Court Corley contribute their knowledge to a recent DOE report on applications of AI to energy, materials, and the power grid.

New research informs the development of foundational models for computational chemistry through hardware-software co-design.

The software democratizes hardware designs by enabling domain scientists to design their own accelerators.

PNNL recently partnered with Amazon Web Services for AWS GameDay, a gamified learning event that challenges participants to use AWS solutions to solve real-world technical problems in a team-based setting.

Catalysts that efficiently transfer hydrogen for storage in organic hydrogen carriers are key for more sustainable generation and use of hydrogen. New research identifies activity descriptors that can accelerate novel catalyst development.

PNNL is supporting the Department of Homeland Security Science and Technology Directorate's Chemical Security Analysis Center in improving capabilities to enhance detection and analysis of chemical threats.

The physics-informed machine learning optimization framework is now PNNL’s most popular open-source repository on GitHub.

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.