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

Research at PNNL and the University of Texas at El Paso are addressing computational challenges of thinking beyond the list and developing bioagent-agnostic signatures to assess threats.

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.

A PNNL study developed a water management module for Xanthos that distinguishes between the operational characteristics of hydropower, irrigation, and flood control reservoirs.

With the help of the U.S. State Department, PNNL climate scientists assisted counterparts in Malaysia and Thailand in exploring carbon neutral goals.

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

PNNL energy storage experts express need for continued investment in developing and deploying long-duration energy storage.

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.

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

A combined experimental and computational approach showed that the hydration shell of hydroxide has a four-coordinate binding.

Report for the Oregon Public Utility Commission highlights innovations and best practices for resilience and utility planning could be helpful to other states as well.

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

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

New research shows that compressing quantum circuits decreases noise and increases the accuracy of quantum calculations.

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

Structural changes in heavy water occur at different temperatures than in standard water.

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

New work developed a methodology to generate building temperature setpoint schedules for use by modelers in large-scale building energy simulations.