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

The diversity and function of organic matter in rivers at a large scale are influenced by factors, such as the types of vegetation covering the land, the energy characteristics, and the breakdown potential of the molecules.

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.

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.

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.

ICON science is a Department of Energy-developed framework to enhance scientific outcomes via more intentional design of research efforts across all domains of science.

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

A new microbial community model reveals previous exposure to hydrologic variation influences a species’ specialized biogeochemical functions.

Detailed characterization of molecules in, under, and along the Columbia River reveal potential mechanisms for biogeochemical cycling.

Integrating hydrogeology and biogeochemistry are required to model the dynamics of geochemical processes occurring in river corridor zones where groundwater and surface water mix.

Theoretical analysis reveals flow variations that happen over longer time periods affect a plume’s spread and center of mass.

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.