Research at PNNL and the University of Texas at El Paso are addressing computational challenges of thinking beyond the list and developing bioagent-agnostic signatures to assess threats.

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.

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.

In a new approach, quantum flow algorithms are used to simulate many-body systems on quantum computers and effectively describe chemical processes.

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.

PNNL’s DataLife tool analyzes and identifies bottlenecks in scientific workflows.

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

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

Researchers unveil user-friendly software to keep complex projects on budget and on schedule.

Scientists at PNNL were awarded nearly $12 million to better understand pathogens, how they spread, and how to prepare the nation against future outbreaks.

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.

Summer internship programs with partnering colleges provide pathways for students to explore careers in science, technology, engineering, and math.

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.

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.

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