CACTUS provides AI-powered cheminformatics for autonomous science.

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.

A new approach validates quantum algorithms for low-energy nuclear physics applications

PNNL played host in mid-May to the Artificial Intelligence for Robust Engineering & Science workshop, an annual event that explores advances in artificial intelligence

PNNL shared recent developments in artificial intelligence at the inaugural Special Competitive Studies Project AI for National Competitiveness Expo.

The software democratizes hardware designs by enabling domain scientists to design their own accelerators.

PNNL recently partnered with Amazon Web Services for AWS GameDay, a gamified learning event that challenges participants to use AWS solutions to solve real-world technical problems in a team-based setting.

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

PNNL’s DataLife tool analyzes and identifies bottlenecks in scientific workflows.

Ripples demonstration will take place at the DOE booth at the International Conference for High Performance Computing, Networking, Storage, and Analysis.

Scientists at PNNL were awarded nearly $12 million to better understand pathogens, how they spread, and how to prepare the nation against future outbreaks.

Summer internship programs with partnering colleges provide pathways for students to explore careers in science, technology, engineering, and math.

Computational chemistry libraries from NWChem, NWChemEX, SPEC, and more are now available on Azure Quantum Elements.

ExaGO, a power grid simulation and optimization platform developed at PNNL is the first of its kind to run on Frontier.

Advances in understanding the nature of the chemical bond are featured in this special issue of The Journal of Chemical Physics.

New research makes molecular-level calculations of water faster and easier.

PNNL researchers developed a hybrid quantum-classical approach for coupled-cluster Green’s function theory that maintains accuracy while cutting computational costs.

Quantum simulators help navigate noise on GPU-based HPC systems.

Surface characterization allows researchers to explore the compatibility between different solvent-membrane combinations.

Contributions from researchers across Pacific Northwest National Laboratory (PNNL) were recently recognized in the preliminary findings of a Secretary of Energy Advisory Board (SEAB) report.