Spatial proteomics enables researchers to link protein measurements to features in the image of a tissue sample, which are lost using standard approaches.

The new PTM-Psi workflow opens the door for uncovering molecular insights within proteomics datasets.

PNNL is one of the founding partners of the Trillion Parameter Consortium, which was formed to create reliable generative AI models.

Tumeo will lead the ChemComp project, which was awarded for Exploratory Research in Extreme Scale Science

High fidelity simulations enabled by high-performance computing will allow for unprecedented predictive power of molecular level processes that are not amenable to experimental measurement.

PNNL is collaborating with Microsoft, Micron and other partners to make computational chemistry broadly available.

The first study modeling the mechanism of hydrated electron formation from aqueous iodide.

PNNL data scientist in the Biological Sciences Division won the 2023 JSM Data Challenge Expo. The award-winning analysis focused on the ability to identify crime patterns by correlating them with historical events and trends.

The Rapid Assessment of Platform Technologies to Expedite Response project aims to prepare against future pandemics.

Chemist Grant Johnson offers tips for mentoring a successful internship and creating opportunities for undergraduate students to publish research.

PNNL and University of Texas at El Paso leverage partnership and joint appointment program for a laboratory directed research and development project.

Computational chemistry libraries from NWChem, NWChemEX, SPEC, and more are now available on Azure Quantum Elements.

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.

Methods review suggests ways to use artificial intelligence and machine learning to handle missing data when integrating two or more omics approaches.

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.

Bobbie-Jo Webb-Robertson is a leader with a PhD in decision sciences & engineering systems from Rensselaer Polytechnic Institute and experience in managing complex scientific programs and line organizations. She assumed the role 3/13/23.

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.

Gosline works to develop computational algorithms that are uniquely targeted for rare disease work by doing foundational research in model system development. This work can be expanded to all model systems in human disease.