Complex metal alloys enter a new era of predictive design for aerospace and other high-temperature applications.

Researchers shared several technologies addressing urgent security challenges at the 2024 Homeland Protection Technologies Workshop at MIT Lincoln Laboratory, in Boston MA.

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.

PNNL shared recent developments in artificial intelligence at the inaugural Special Competitive Studies Project AI for National Competitiveness Expo.

PNNL’s Nell Byler and Elise Bishoff shared their computer vision expertise with high school students at the National Science Bowl Science Day

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

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’s Andrew Engel, Tony Chiang, and Sutanay Choudhury at the 2024 ICLR in Vienna.

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

Data scientist at PNNL receives the Environmental and Engineering Geophysical Society and Geonics Limited Early Career Award for work with geophysical modeling and subsurface inversion codes.

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.

A breakthrough in electron microscopy based on deep learning can automatically visualize and identify areas of interest, helping to speed advances in materials science.

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

Beyond melting ice and higher temperatures: On Earth Day, scientists consider how climate change will affect national security.

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

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.

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

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.

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.