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

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

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

A new database allows researchers to connect lattice parameters and composition in olivine.

New methodology can evaluate the potential for carbon storage and critical mineral recovery in undercharacterized geological settings.

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.

Data from SOSAT web tool informs site selection and management for the subsurface injection of captured carbon dioxide.

To improve our ability to “see” into the subsurface, scientists need to understand how different mineral surfaces respond to electrical signals at the molecular scale.

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

A new quantum algorithm speeds up simulations of coupled oscillator dynamics.

The SHASTA program is doing a deep dive on subsurface hydrogen storage in underground caverns, helping to lay the foundation for a robust hydrogen economy.

Researchers investigated how stable nanoparticle suspensions form using facet engineering on hematite nanoparticles, demonstrating that controlling the faceting of nanoparticles can effectively maintain particle dispersity.

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

PNNL research unlocks key findings needed for potential commercial deployment of carbon mineralization technology.

The first study modeling the mechanism of hydrated electron formation from aqueous iodide.

PNNL and University of Texas at El Paso leverage partnership and joint appointment program for a laboratory directed research and development project.

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

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.

A combined experimental and theoretical study identified multiple interactions that affect the performance of redox-active metal oxides for potential electrochemical separation and quantum computing applications.

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