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.

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.

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

Proton shuffling in hydrated nicotine at low temperatures occurs via a Grotthuss mechanism, identified through experimental and computational work.

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.

At the 2024 Aviation Futures Workshop, researchers from PNNL joined other subject matter experts and representatives from the stakeholder community in reimagining the passenger experience.

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.

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

The atomic-level distribution of nickel and cobalt in forsterite depends on the concentration of the different elements.

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.

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

At a one-day summit on PNNL’s Richland campus, scientists and engineers gather to hear from leaders and learn to lead others.

The International Association for Dental Research Mineralized Tissue Group awarded PNNL scientists and their collaborators a Best Paper recognition for research published in Nano Letters.

PNNL’s patented Shear Assisted Processing and Extrusion (ShAPE™) technique is an advanced manufacturing technology that enables better-performing materials and components while offering opportunities to reduce costs and energy consumption.

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.

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