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.

Andrew White goes back to his alma mater, Georgia Tech, as young alumni keynote speaker for the Sustainability Showcase, part of the university’s larger Sustainable Development Goals Action & Awareness Week.

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).

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.

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.

Tennessee State University received Department of Energy funding to establish an academy focused on preparing students and professionals to work in an emerging field: clean energy systems. PNNL is helping with that effort and others.

Researchers at PNNL devised a new workflow for integrating life cycle analysis into building design, aided by a computational method that adapts existing software to net-zero energy, carbon-negative homes.

GUV can reduce transmission of airborne disease while reducing energy use and carbon emissions. But fulfilling that promise depends on having accurate and verifiable performance data.

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

Researchers from PNNL have been assessing installation and use of electric heat pumps in an Alaskan community that relies on fuel oil for heat. The resulting information could advance electrification in cold rural areas across the nation.

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.

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.