A new study demonstrates a hybrid model that can simulate part of a system at the molecular scale and other parts at larger scales in a computationally efficient manner, providing greater simulation flexibility.

Scott Whalen, a chief scientist in the Applied Materials and Manufacturing group at PNNL, has been named 2023 PNNL Inventor of the Year

PNNL shared recent developments in artificial intelligence at the inaugural Special Competitive Studies Project AI for National Competitiveness Expo.

The Department of Energy Office of Nuclear Energy acting assistant secretary makes his first visit to a national laboratory in his new role, touring PNNL's Radiochemical Processing Laboratory.

PNNL’s Nell Byler and Elise Bishoff shared their computer vision expertise with high school students at the National Science Bowl Science Day

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

Research at PNNL and the University of Texas at El Paso are addressing computational challenges of thinking beyond the list and developing bioagent-agnostic signatures to assess threats.

Visit featured information exchange and tours of PNNL work and facilities that relate to the work of the International Atomic Energy Agency.

PNNL’s Andrew Engel, Tony Chiang, and Sutanay Choudhury at the 2024 ICLR in Vienna.

PNNL researchers learn to control peptoid “handedness,” one key to precision drug delivery and diagnostics.

PNNL computing experts Robert Rallo and Court Corley contribute their knowledge to a recent DOE report on applications of AI to energy, materials, and the power grid.

A breakthrough in electron microscopy based on deep learning can automatically visualize and identify areas of interest, helping to speed advances in materials science.

New research informs the development of foundational models for computational chemistry through hardware-software co-design.

PNNL advisors joined a panel of Washington State emergency management personnel to discuss how partnerships with national laboratories are enabling science and technology solutions.

As new paradigms in advanced computing take shape, computational chemistry researchers are finding new ways to solve challenging chemistry problems.

Researchers investigated how stable nanoparticle suspensions form using facet engineering on hematite nanoparticles, demonstrating that controlling the faceting of nanoparticles can effectively maintain particle dispersity.

Staff impressed the NNSA visitors with passion for their work and commitment to the national security mission.

In a new approach, quantum flow algorithms are used to simulate many-body systems on quantum computers and effectively describe chemical processes.

The 98th ACS Colloid and Surface Science Symposium will be co-organized by Shuai Zhang and Jim De Yoreo.

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.