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

IDREAM research shows that keeping only the most important two- and three-body terms in reactive force fields can decrease computational cost by one order of magnitude, while preserving satisfactory accuracy.

PNNL scientists are creating new ways to learn more about the vast sea of chemicals that haven't been identified—yet.

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

Researchers created the first open-source database of exotic materials eyed for use in quantum applications.

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.

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

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.

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.

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.

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

Findings show method to better prepare human lung tissue for study; it represents the latest mass spectrometry-based omics advances.

New research findings published in Science Advances (November 2022), help explain the progression of Alzheimer-related dementia in each patient. The findings outline a biological classification system that predicts disease severity.

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