A new study demonstrates a hybrid model that can simulate part of a system at the molecular scale and other parts at larger scales in a computationally efficient manner, providing greater simulation flexibility.

With her broad experience and background, Starr Abdelhadi was selected from many applicants to join the Women in IT Networking at SC (WINS) program for Super Computing 2024 (SC24).

The 2024 Jack Simons Award honor recognizes Li for his expertise in integrating chemistry with computing for fundamental science research.

PNNL researchers learn to control peptoid “handedness,” one key to precision drug delivery and diagnostics.

Reaching net-zero carbon emissions goals requires finding transformative paths to manage carbon in difficult-to-electrify economic sectors.

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

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.

As new paradigms in advanced computing take shape, computational chemistry researchers are finding new ways to solve challenging chemistry problems.

Students participating in the Public Infrastructure Security Cyber Education System program at the University of Montana recently discovered and appropriately escalated an anomaly that turned out to be a concern.

Researchers investigated how stable nanoparticle suspensions form using facet engineering on hematite nanoparticles, demonstrating that controlling the faceting of nanoparticles can effectively maintain particle dispersity.

The 98th ACS Colloid and Surface Science Symposium will be co-organized by Shuai Zhang and Jim De Yoreo.

Chemists Wilma Rishko and Samantha Johnson are set to receive an ACS Division of Inorganic Chemistry Award for Undergraduate Research as a mentor-mentee pair.

Researchers devised a quantitative and predictive understanding of the cloud chemistry of biomass-burning organic gases helping increase the understanding of wildfires.

Adom Cooper was selected for the inaugural cohort of the Black Professionals in International Affairs at the Colin Powell Leadership Institute.

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

Pacific Northwest National Laboratory launches the Training Outreach and Recruitment for Cybersecurity Hydropower program at the University of Texas at El Paso.

Visual Sample Plan, a free software tool developed at PNNL that boosts statistics-based planning, has been recognized with a 2024 Federal Laboratory Consortium Award.

From energy storage to cybersecurity, this 2023 wrap-up offers a glimpse of PNNL innovations with a seasonal twist.

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.