EZBattery Model allows energy storage researchers to more quickly and easily identify the best performing battery designs without the need for extensive physical prototyping or computationally expensive simulations.

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

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.

Researchers created a methodology to design custom network topologies that improve the execution time for scientific applications.

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

Researchers unveil user-friendly software to keep complex projects on budget and on schedule.

PNNL researchers present challenges and opportunities for fusing graph neural networks with deep reinforcement learning.

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.

PNNL researchers outline open problems in different scientific areas in the Journal of Combinatorics.

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.

Methods review suggests ways to use artificial intelligence and machine learning to handle missing data when integrating two or more omics approaches.

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.

To thwart pathogens, researchers in the epidemiology field of infectious disease (ID) prediction are continuously trying to forecast when, where, and how an ID event will occur.

PNNL joint appointee Auroop Ganguly uses data science to study the impacts of climate change.

A new web-based tool provides easy-to-understand progress metrics and other data about groundwater cleanup sites overseen by the DOE Office of Environmental Management.

SEA-CROGS is one of four Mathematical Multifaceted Integrated Capability Centers selected for support by the Department of Energy.

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.