An approach combining multiple theories increases the accuracy of quantum-based simulations without increasing computational demands.

As Laboratory Director Steve Ashby pens his last monthly column, he highlights PNNL’s accomplishments with pride and gratitude.

Quantum computing promises leaps in chemistry and materials science, and PNNL is preparing to realize its potential with a collaborative approach.

Neural networks techniques enable the efficient capture of electron correlation effects in reduced-dimensionality spaces.

In the search for rare physics events, extremely pure materials are essential. A partnership between PNNL and Ultramet has led to tungsten with low contamination from other elements.

Directionally biased electrostatic interactions are the key to significantly tuning the reduction potential of iron/sulfur clusters.

Erik Lentz and Christian Boutan will research quantum information science-enabled discoveries in high energy physics with these awards.

Developing a new scheme to more efficiently solve quantum chemistry problems.

Researchers have created an algorithm that slashes the calculations necessary to prepare and customize data for quantum computing.

Over the next four years, PNNL and University of Arizona will develop open-source computational tools to better identify and characterize the viruses associated with the human microbiome.

Armed with some of the world’s most advanced instrumentation, researchers at PNNL are working to analyze huge amounts of data and uncover hidden biological connections.

A potential quantum advantage for fluid dynamics simulations from molecular to atmospheric scales with a new formula for success.

CACTUS provides AI-powered cheminformatics for autonomous science.

Pacific Northwest National Laboratory researchers developed a new theoretical method for studying highly correlated systems.

Nineteen PNNL-affiliated researchers have been named to Clarivate’s 2024 list of the world's most highly cited researchers.

Scientists are using artificial intelligence and powerful computing to sculpt new molecules in an effort to treat disease.

University of Washington Professor David Baker won the 2024 Nobel Prize in Chemistry for computational protein design.

The search for dark matter includes expertise in radio frequency signal detection, quantum sensing, and high-energy physics at PNNL.

Scientists plumbed the depths of nearly 3,000 soil samples from around the globe to compile the heftiest atlas of soil viruses ever created.

ARQUIN computational pipeline provides a holistic framework for simulating a system with distributed quantum computing ingredients.