A newly funded project will develop the fundamental understanding of phenomena that underpin material properties important for quantum applications.

Calculating quantum chemistry quickly allows scientists to refine their understanding of complex chemical systems.

A team of researchers at PNNL is developing a new approach to explore the higher-dimensional shape of cyber systems to identify signatures of adversarial attacks.

Samrat (Sam) Chatterjee, a PNNL chief data scientist and team leader with the Data Sciences and Machine Intelligence group, was co-author of a CSET workshop report on agentic artificial intellilligence

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

PNNL computational and data scientist Mark Maupin was the team lead for a paper published in the journal Molecules.

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

Sergei Kalinin honored with the David Adler Lectureship Award for contributions to materials physics through automated experimentation and ferroelectric materials work.

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

The first tidal turbine deployed in the Pacific Northwest at PNNL-Sequim showcases the Lab’s growing role as a regional center for marine energy research.

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.

In a recent publication in Nature Communications, a team of researchers presents a mathematical theory to address the challenge of barren plateaus in quantum machine learning.

The 2024 State of the Science Report on environmental effects of marine renewable energy research has been released.

Dedication of the new hybrid-electric research vessel, the RV Resilience, was celebrated by laboratory, state and federal officials.

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

The Department of Energy’s Vehicle Technologies Office recognized Livewire’s outstanding teamwork and technical expertise.

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.

Jim De Yoreo, a Battelle fellow and materials scientist, was elected vice-chair of the National Academy of Engineering’s Materials Section.

Fully identifying what controls nanocrystal assembly requires incorporating non-traditional forces into models.