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

A team from PNNL contributed several articles to the Domestic Preparedness Journal showcasing recent efforts to explore the emergency management and artificial intelligence research and development landscape.

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.

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.

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.

A team of researchers recently coordinated a series of international workshops aimed at enhancing chemical research security and fostering collaboration among scientists and academic researchers from both countries.

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

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

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.

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

Over the past three years, PNNL’s Know Your Collaborator (KYC) workshop series has engaged hundreds of academic partners and institutional researchers internationally on the topic of research security.

Proton shuffling in hydrated nicotine at low temperatures occurs via a Grotthuss mechanism, identified through experimental and computational work.

The Delaware River Basin is projected to experience a regional increase in flood severity under future climate scenarios.

ChemReasoner combines decades of chemistry knowledge with large language models to propose strategies for effective new catalysts.

The atomic-level distribution of nickel and cobalt in forsterite depends on the concentration of the different elements.

Erich Hsieh, Deputy Assistant Secretary for OE’s Energy Storage Division, shared insights about the Grid Storage Launchpad and energy storage innovations .

A new study demonstrates a hybrid model that can simulate part of a system at the molecular scale and other parts at larger scales in a computationally efficient manner, providing greater simulation flexibility.

New research informs the development of foundational models for computational chemistry through hardware-software co-design.