Xantheas was one of four professors in 2021/2022 to be selected by the Göttingen Academy of Sciences and Humanities for this award.

A combined experimental and computational approach showed that the hydration shell of hydroxide has a four-coordinate binding.

A combined experimental and modeling study shows that electronic interactions direct how a metal-organic framework grows.

A paper by PNNL researchers has been chosen as one of 32 NIEHS Papers of the Year—a top 1% honor in the research field.

PNNL Biomedical Scientist Geremy Clair has taken on new roles as an editor for two journals; Frontiers In Cellular And Infection Microbiology and Frontiers In Molecular Biosciences.

A new approach broadens the reach of quantum computers to previously challenging systems.

Silicone wristbands could be more convenient option for collecting exposure data.

The virus that causes COVID-19 takes over the body’s fat-processing system and boosts cellular triglycerides as it causes disease.

The size of the alkali metal within the material influences the crystallization pathway.

Providing a perspective on the importance of integrating experimental work with theory and simulations when designing new carbon capture solvents.

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

Study highlights microbiome’s role in regulating xenobiotic metabolism.

Studying MERS-CoV may lead to better treatments for a host of respiratory illnesses, including the many variants of COVID-19.

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

Simulations reveal advantages of using new model vs. allometric scaling for risk assessment.

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.