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 chemical engineer Mariefel Olarte shares passion for mentoring students and the next-generation workforce.

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.

This project sought to assure that research activities centered around different sampling and monitoring efforts in northwest Ohio would not disturb any historical cultural resources.

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.

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

Francesca Pierobon holds a joint appointment with UW and WSU to advance low-carbon technologies.

PNNL researchers will pursue both fundamental and applied projects with this support from the Department of Energy

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

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

Despite the widespread presence of RNA viruses in soils, little is known about the relative contributions and interactions of biological and environmental factors shaping the composition of soil RNA viral communities.

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

A multi-institutional team of researchers conducted a 13C-labeling greenhouse study using a semi-arid grassland soil, where they tracked the fate of 13C-labeled inputs from living roots and decaying roots from annual grass Avena barbata.

Researchers studied the boundary precipitation of tungsten heavy alloys in an extended high temperature irradiation environment

Capstone engineering projects deliver equipment to improve accuracy of chemistry lab elutions and enhance training to safeguard critical infrastructure.