Research from PNNL and the University of Washington demonstrates the extension of the MBE for periodic systems and its use to decompose the lattice energies of different ice polymorphs.

PNNL chemist Christopher Anderton recently named president-elect of the Imaging Mass Spectrometry Society (IMSS). In this new position, he will help lead the merge of IMSS with a European-based society, currently underway.

Advances in understanding the nature of the chemical bond are featured in this special issue of The Journal of Chemical Physics.

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.

Data-driven autonomous technology to rapidly design and deliver antiviral interventions targeting SARS-CoV-2 to reduce drug discovery timeline and advance bio preparedness capabilities.

Advanced proteomic analysis tools dig deep into human blood plasma to understand the molecular nature of advanced alcoholic disease.

A detailed snapshot of proteins by PNNL scientists marks a big step toward a diagnostic blood test for a deadly form of liver disease.

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

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.

Researchers use machine learning to speed up the analysis of aerosol datasets from mass spectrometry.

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.

Development of a one-meter path length miniature ion mobility spectrometer based on multilevel structures for lossless ion manipulations.

PNNL scientists are protecting first responders and others by expanding what’s known about fentanyl, the driver of the opioid epidemic.

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.