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.

New datasets delineating global urban land support scientific research, application, and policy, but they can produce different results when applied to the same problem making it difficult for researchers to decide which to use.

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.

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.

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

The research presented in this article enhances the ability to predict and prepare for compound flood events along the U.S. coastline.

A newly funded project will develop the fundamental understanding of phenomena that underpin material properties important for quantum applications.