A suite of new modeling methods gives researchers better tools to predict molecular behavior inside cavities.

PNNL celebrates its sixth Handshake Early Talent Award, showcasing strong early‑career recruiting. Stories from data scientist Joshua Chong and engineer Alex Smith highlight journeys from different career paths to PNNL.

Secretary Wright visited PNNL's campus in Richland, Washington, late last year to meet with innovators in chemistry, biology, computing, and more.

Darío Gil, DOE's Undersecretary for Science, makes his inaugural visit to PNNL.

Now, anyone can easily explore and access data from a nationwide map of data centers, the infrastructure that powers them, and projections of future data center locations.

The Scientific Discovery through Advanced Computing institute will focus on making scientific machine learning accessible to domain scientists.

AI for Good event commemorates 60 years of community engagement, features AI applications, and offers practical AI tools to empower people.

This achievement earned DIMPLES a Best Paper award at the ACM International Conference on Supercomputing 2025.

Christina Lomasney moderates panel on commercialization pathways for emerging artificial intelligence and high-performance computing technologies.

More than 25,000 participants from industry, government, academia, and the public attended the event.

A new time-dependent wavefunction formulation for the cumulant Green’s functions can produce more accurate simulations.

Neural networks techniques enable the efficient capture of electron correlation effects in reduced-dimensionality spaces.

The Center for Continuum Computing at PNNL aims to integrate cloud platforms, high-performance computing, and edge devices into a seamless ecosystem that accelerates scientific discovery.

Developing a new scheme to more efficiently solve quantum chemistry problems.

PNNL chemical engineer Mariefel Olarte shares passion for mentoring students and the next-generation workforce.

PNNL Program Development Office Director Karl Mueller explains how the TEC4 project seeks to make advanced chemical computations accessible to all.

Electronic structure codes in a cloud environment can enable efficient computational chemistry simulations.

CACTUS provides AI-powered cheminformatics for autonomous science.

PNNL’s Center for Cloud Computing is addressing challenges in data management and hybrid cloud solutions with industry and academic partnerships.

The Testing Risks of AI for National Security Taskforce will address critical safety and security concerns related to artificial intelligence.