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.

ARQUIN computational pipeline provides a holistic framework for simulating a system with distributed quantum computing ingredients.

Ján Drgoňa invited as a speaker at the Grainger Foundation Frontiers of Engineering 2024 Symposium of the National Academy of Engineering.

Ultra-thin layers of silk deposited on graphene in perfect alignment represent a key advance for the control needed in microelectronics and advanced neural network development.

Vijay Murugesan highlights how AI can accelerate materials discovery at the Volta Foundation’s Battery Forum.

Three PNNL researchers will receive five continuous years of funding for projects through highly competitive DOE Early Career Research Program awards.

Bylaska and team will aim to make computational design of functional materials more targeted, impactful, and user friendly through this award.

Three PNNL technologies have been named 2024 R&D 100 Award winners.

Neeraj Kumar discusses how AI can transform scientific research at the Platform for Advanced Scientific Computing Conference and Trillion Parameter Consortium European Workshop.

ChemReasoner combines decades of chemistry knowledge with large language models to propose strategies for effective new catalysts.

Robert Rallo discussed PNNL’s artificial intelligence research at the Seattle AI Investor Summit and Showcase

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

A new approach validates quantum algorithms for low-energy nuclear physics applications

A team of researchers from Pacific Northwest National Laboratory and the Environmental Molecular Sciences Laboratory developed a new and flexible software tool called “Advanced Spectra PCA Toolbox.”

Complex metal alloys enter a new era of predictive design for aerospace and other high-temperature applications.

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

Scientists at PNNL harnessing advances in deep learning, deep reinforcement learning and generative AI to change how science is conducted and achieve original scientific results and breakthroughs.