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.

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

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

A new quantum algorithm speeds up simulations of coupled oscillator dynamics.

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.

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

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

In soil, microbes produce and consume methane. Using a technique called pool dilution, researchers can separate the rate of methane production and consumption from the net rate.

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.

PNNL is one of the founding partners of the Trillion Parameter Consortium, which was formed to create reliable generative AI models.

Researchers created a methodology to design custom network topologies that improve the execution time for scientific applications.

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

Tumeo will lead the ChemComp project, which was awarded for Exploratory Research in Extreme Scale Science

Robert Rallo from Pacific Northwest National Laboratory will direct a machine learning thrust for a new Department of Energy-funded project led by SLAC National Accelerator Laboratory.

Newly developed ultra-low radiation cables reduce background noise for neutrino and dark matter detectors.

Stinis will serve as a principal investigator on two of the four projects selected for funding by the Advanced Scientific Computing Research program.

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

Studying single crystal reactions provides molecular-level insight into catalytic processes.

Wendy Shaw is a new Fellow of the Royal Society of Chemistry, honored for her leadership role and impacts on the chemical sciences.