Pacific Northwest National Laboratory researchers developed a new theoretical method for studying highly correlated systems.

Calcium carbonate mineralization occurs through a multi-step process that begins with a dense liquid phase.

Postdoctoral scientist Jingshan Du received the Nanoscale Science and Technology Division Early Career Award from AVS.

Graduate student Ying Xia has been selected as a Graduate Student Award Finalist for the 2024 Materials Research Society Fall Meeting.

University of Washington Professor David Baker won the 2024 Nobel Prize in Chemistry for computational protein design.

Controlling the nanostructure of silk fibroin—a protein found in silk—is a key step toward designing and fabricating electronics that leverage the material’s promising mechanical, optical and biocompatible properties.

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.

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

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

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.

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.