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.

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.

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.

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.

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.

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

PNNL helps deliver efficiency-related rules and requirements that steadily improve performance of America’s buildings, saving energy and costs and reducing carbon emissions.

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.

Study finds regional priorities shape people’s interest in improving the energy efficiency of their homes.

Mandy Mahoney, director of the DOE Building Technologies Office, visited PNNL in late November. One key agenda item involved meeting with staff for a discussion of effective equity and justice integration in buildings-related research.

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.