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

Increasing concentrations of ions slows the rate of particle aggregation in boehmite suspensions.

PNNL Program Development Office Director Karl Mueller explains how the TEC4 project seeks to make advanced chemical computations accessible to all.

Electronic structure codes in a cloud environment can enable efficient computational chemistry simulations.

Chromium cations better adapt to changes in oxygen stoichiometry than iron cations.

Molecular simulations highlight the key interactions between mineral surfaces and organic matter that lead to carbon stabilization in soils.

CACTUS provides AI-powered cheminformatics for autonomous science.

Seawater threatens to intrude into coastal freshwater aquifers that millions of people depend on for drinking water and irrigation. This study investigates sea-level rise impacts on the global coastal groundwater table.

Several Earth system components are at a high risk of undergoing rapid, irreversible qualitative changes or ‘tipping’ with increasing climate warming.

Using interfacial charge transfer to control cation charges in oxide superlattices offers insights for designing functional heterostructures.

New IDREAM research explores the effects of electrolyte species on boehmite nanoparticle aggregation in legacy wastes.

A recent paper published in Science sheds light on how aerosols—tiny particles in the air—released by industrial activities can trigger downstream snowfall events.

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

Calcium carbonate mineralization occurs through a multi-step process that begins with a dense liquid phase.

The demand for energy is growing—and so is the technology supporting it. However, future development of power generation technologies could be affected by a key factor: material supply.

Klickitat Valley Health's fuel cell and microgrid project boosts rural healthcare, enhancing energy resilience and sustainability for social equity.

Through a detailed examination of historical data supported by mechanistic analysis and model experiments, researchers unveil that a large-scale climate system intensifies heat extremes and wildfire risks in the PNW.

This study shows that dry dynamics alone is not enough to understand jet stream persistence. Instead, clouds and precipitation are more important contributors than internal “dry” mechanisms to this memory of the Southern Hemisphere jet.

Research that modeled increased heat pump adoption alongside climate change impacts in Texas showed that high-efficiency heat pumps buffer the strain that electric heating might put on the power grid.

University of Washington Professor David Baker won the 2024 Nobel Prize in Chemistry for computational protein design.