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

Research from PNNL and the University of Washington demonstrates the extension of the MBE for periodic systems and its use to decompose the lattice energies of different ice polymorphs.

The ChemSpace Tool, when fully developed, is intended to divide chemical space into three subsets: the detectable space, the identifiable space, and the region that includes compounds that are not detectable or identifiable.

Researchers combined crystallographic data and computational studies to investigate plutonium-ligand bonding within a hybrid material construct.

The work by the team at PNNL takes a critical step in leveraging ML to accelerate advanced manufacturing R&D, specifically for manufacturing techniques without access to efficient, first-principles simulations.

Microbes that were previously frozen in soils are becoming more active. This study demonstrates the diverse RNA viral communities found in thawed permafrost.

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

PNNL researchers created a model that helps materials scientists not only predict what is, but what could be.

The size of the alkali metal within the material influences the crystallization pathway.

Combining advanced powder synthesis with solid state processing allows researchers to streamline oxide dispersion-strengthened steel fabrication.

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

Different sized helium cavities that form after ion irradiation are unevenly distributed in a ductile-phase toughened tungsten composite.

PNNL researchers utilized the Peeters-Devreese-Soldatov formulation to improve the accuracy of calculations for quantum chemistry.

PNNL researchers developed a way to produce accurate simulations of complex physical systems using renormalized approximations across multiple scales

Hypergraphs can more faithfully identify important genes in complex immune responses.

The web-based tool, called PLATIPUS, is publicly available and interacts with publications available in the CovidScholar database.

Seeking a deeper understanding of when, where, and why large wildfires occur using explainable artificial intelligence.

New mathematical tools developed at PNNL hold promise to transform the way we operate and defend complex cyber-physical systems, such as the power grid.

Predictive models indicate cells regulate enzyme activity to maintain liquid center.

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.