Chemist Wendy Shaw, a nationally recognized scientific leader, has been chosen to serve as the associate laboratory director for PNNL's Physical and Computational Sciences Directorate.

Researchers have created an algorithm that slashes the calculations necessary to prepare and customize data for quantum computing.

Four engineers at PNNL received awards for nuclear science presentations related to Hanford Site cleanup at the annual meeting of the world's leading organization for chemical engineering professionals.

The speed and agility of cloud computing opens doors to completing advanced computational chemistry workflows in days instead of months.

Researchers discussed this topic at the 2024 Analog Computing for Science Workshop co-led by Antonino Tumeo.

Researchers will explore climate, pathogens and energy-efficient microelectronics using 3 million node hours on the nation’s supercomputers.

The 2024 Jack Simons Award honor recognizes Li for his expertise in integrating chemistry with computing for fundamental science research.

Chemists Wilma Rishko and Samantha Johnson are set to receive an ACS Division of Inorganic Chemistry Award for Undergraduate Research as a mentor-mentee pair.

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

Robert Rallo from Pacific Northwest National Laboratory will direct a machine learning thrust for a new Department of Energy-funded project led by SLAC National Accelerator Laboratory.

At the Nonproliferation, Counterproliferation, and Disarmament Science Gordon Research Conference, researchers from PNNL shared research and scientific approaches for countering diverse threats.

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

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

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.

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

The U.S. Department of Energy has selected the Scalable Predictive Methods for Excitations and Correlated Phenomena project to receive funding to develop software for chemical research.

The project received an Innovative and Novel Computational Impact on Theory and Experiment (INCITE) award, a highly competitive U.S. Department of Energy Office of Science program.