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.

PNNL played host in mid-May to the Artificial Intelligence for Robust Engineering & Science workshop, an annual event that explores advances in artificial intelligence

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

Scientists unravel a secret to oil production in plants, opening up the possibility of increasing production for biofuels and other applications.

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

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

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

The software democratizes hardware designs by enabling domain scientists to design their own accelerators.

PNNL recently partnered with Amazon Web Services for AWS GameDay, a gamified learning event that challenges participants to use AWS solutions to solve real-world technical problems in a team-based setting.

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.

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.

Researchers devised a quantitative and predictive understanding of the cloud chemistry of biomass-burning organic gases helping increase the understanding of wildfires.

PNNL chief scientist and joint appointee Auroop Ganguly was recently appointed a Distinguished Member of the Association for Computing Machinery, a high honor from the world's largest computer science society.

Reproducible workflows for binning and visualizing nuclear magnetic resonance spectra from environmental samples.

Ang participated in a White House-hosted CHIPS R&D event and roundtable discussion with senior leaders from industry, academia and key government agencies.

A 19-person, multi-institutional national laboratory team received the inaugural Gordon Bell Prize for Climate Modeling from the Association for Computing Machinery for their work on more accurately modeling deep convective clouds.

The convergence of artificial intelligence, cloud, and high-performance computing to accelerate scientific discovery is the focus of a multi-year collaboration between Microsoft and PNNL.

PNNL has created the Center for AI @PNNL to coordinate the pioneering research of hundreds of scientists working on a range of projects in artificial intelligence.

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