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

The Center for Continuum Computing at PNNL aims to integrate cloud platforms, high-performance computing, and edge devices into a seamless ecosystem that accelerates scientific discovery.

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.

Formal mathematics both reveals what’s inside the black box of AI algorithms and pushes the boundary of what’s possible within math as a discipline.

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

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

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

Federal environmental permitting process to be fast-tracked with AI-powered tools and cloud-supported data analysis.

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

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

Calculating quantum chemistry quickly allows scientists to refine their understanding of complex chemical systems.

A team of researchers at PNNL is developing a new approach to explore the higher-dimensional shape of cyber systems to identify signatures of adversarial attacks.

Samrat (Sam) Chatterjee, a PNNL chief data scientist and team leader with the Data Sciences and Machine Intelligence group, was co-author of a CSET workshop report on agentic artificial intellilligence

PNNL computational and data scientist Mark Maupin was the team lead for a paper published in the journal Molecules.

Researchers discussed this topic at the 2024 Analog Computing for Science Workshop co-led by Antonino Tumeo.

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

In a recent publication in Nature Communications, a team of researchers presents a mathematical theory to address the challenge of barren plateaus in quantum machine learning.

Three PNNL researchers will receive five continuous years of funding for projects through highly competitive DOE Early Career Research Program awards.

Bylaska and team will aim to make computational design of functional materials more targeted, impactful, and user friendly through this award.