Parallel graph neural networks identify protein-ligand 3-D structural interactions to aid in protein function prediction and drug discovery.

A novel ecological measurement uncovered interactions between river corridor organic matter assemblages and microbial communities, highlighting potentially important microbial taxa and molecular formula types.

Researchers from the Environmental Molecular Sciences Laboratory are collecting soil cores as part of the 1000 Soils Research Pilot to develop a database of molecular-level data from belowground ecosystems.

New data analysis approach gives researchers deeper understanding of microbial ecology and evolution.

Study highlights microbiome’s role in regulating xenobiotic metabolism.

Mowei Zhou, a chemist with the Environmental Molecular Sciences Laboratory, is speaking at the ACS spring conference on his latest protein discoveries for a plant that could transform biofuels production.

Study reveals importance of accounting for micrometer scale distribution of substrates to predict carbon emissions from soil.

PNNL scientists discover new soil viruses across different climates.

IDREAM researchers use fast force mapping to provide insights into the boehmite interfacial solution structure.

Vanda Glezakou and Laboratory Fellow Roger Rousseau collaborated with other experts to write an American Chemical Society book chapter.

A hybrid computing approach for solving quantum chemical problems offers a practical bridge between classical and quantum computing.

Researchers achieved the complete assignment of the infrared spectrum of a hydronium-water “magic number” cluster reported in Science in 2004.

A team of researchers developed a simulation approach to identify how atomic structures can affect the phonon transport of energy and information in quantum systems near absolute zero temperatures.

Theoretical work shows that an important natural iron source can be described as a nanoscale composite of different, but experimentally indistinguishable, structures.

Customized molecular tools identify specific microbial functions that are key to healthy people and environments.

Fundamental research conducted at the $90-million research facility will help the nation meet its clean energy goals.

PNNL researchers are studying catalysts that are key to dealing with waste and producing sustainable energy.

Creating films with atomic precision allows researchers moving to the Energy Sciences Center to identify small, but important changes in the materials.

Soil moisture influences both the activity of soil DNA viruses, as well as the composition and abundance of RNA viruses.

PNNL data scientists are refining their artificial intelligence tools with COVID-19 data to advance therapeutics and treatments for a future pandemic.