Reviewing the current science of the mechanism and structural dynamics of methyl coenzyme-M reductase, an enzyme involved in biological methane conversion.

A team combined experiments and theory to predict the collective properties of electrolyte solutions.

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

Under an optical field, nanoparticle attachment in a model system heavily depends on surface roughness.

PNNL researchers have published their paper, “Introducing Molecular Hypernetworks for Discovery in Multidimensional Metabolomics Data,” in the Journal of Proteome Research.

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.

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

John VerWey, an advisor in the Mission Alignment group at PNNL, has recently been selected to lead a panel discussion at the inaugural Special Competitive Studies Project (SCSP) AI+ Compute & Connectivity Summit.

The Resilience Analysis Specialty Group is part of the Society for Risk Analysis, the premier international society for risk analysis professionals.

Increasing concentrations of ions slows the rate of particle aggregation in boehmite suspensions.

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.

PNNL's “co-scientist” serves as a one-stop AI shop for accelerating scientific discovery. By leveraging AI agents, researchers can explore scientific databases, conduct analyses and request step-by-step plans for testing their hypotheses.

Chemist Wendy Shaw, a nationally recognized scientific leader, has been chosen to serve as the associate laboratory director for PNNL's Physical and Computational Sciences Directorate.

Researchers can now quantify uncertainty in trained AI models aimed at solving difficult chemistry, biology and materials science problems.

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

Nine national laboratories, including PNNL, bring together over 1,000 scientists for a day to use AI to accelerate scientific discovery.

By combining computational modeling with experimental research, scientists identified a promising composition that reduces the need for a critical material in an alloy that can withstand extreme environments.

PNNL Program Development Office Director Karl Mueller explains how the TEC4 project seeks to make advanced chemical computations accessible to all.

Four engineers at PNNL received awards for nuclear science presentations related to Hanford Site cleanup at the annual meeting of the world's leading organization for chemical engineering professionals.