Research from PNNL and the University of Washington demonstrates the extension of the MBE for periodic systems and its use to decompose the lattice energies of different ice polymorphs.

To overcome high-performance computing bottlenecks, a research team at PNNL proposed using graph theory, a mathematical field that explores relationships and connections between a number, or cluster, of points in a space.

Jingshan Du was named an associate editor of the journal Frontiers for Young Minds, which publishes articles about scientific research for young readers.

Methods review suggests ways to use artificial intelligence and machine learning to handle missing data when integrating two or more omics approaches.

A project team at PNNL has been honored with the Project Management Achievement Award for 2022 from the Department of Energy.

A combined experimental and theoretical study identified multiple interactions that affect the performance of redox-active metal oxides for potential electrochemical separation and quantum computing applications.

Irradiated boehmite nanoplatelets form smaller aggregates and have a rougher surface than non-irradiated platelets.

Water affects the intermediates present on the surface of a metal oxide catalyst during ketonization.

Led by PNNL, the new Cathode-Electrolyte Interphase Consortium has been launched, involving 10 national laboratories and 10 universities.

Advances in understanding the nature of the chemical bond are featured in this special issue of The Journal of Chemical Physics.

Vrabie co-organized the 2022 Workshop on Artificial Intelligence for Isotope R&D and Production for the Department of Energy Isotope Program.

Variations in burn severity are a key control on the chemical constituents of dissolved organic matter delivered to streams within a single burn perimeter.

PNNL-developed catalytic process and catalyst to upgrade ethanol to sustainable aviation fuel wins American Chemical Society award.

PNNL’s Sameera Horawalavithana joins the journals IEEE Transactions on Artificial Intelligence and Humanities and Social Sciences Communications.

A new nano-optical bioimaging technology in development at PNNL enables researchers to watch climate-bellwether microbes exchange metabolites and other essential signals.

Xantheas was one of four professors in 2021/2022 to be selected by the Göttingen Academy of Sciences and Humanities for this award.

A combined experimental and computational approach showed that the hydration shell of hydroxide has a four-coordinate binding.

Newly developed models can help rapidly optimize systems to meet the need for rapidly deployable commercial carbon capture.

Combining peptoids and carbon nanotube porins creates a new class of stable membranes with potential applications in separations science.

A combined experimental and modeling study shows that electronic interactions direct how a metal-organic framework grows.