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

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.

Hydrogen atoms released and trapped in irradiated gibbsite are destabilized by synthetic-precursor residuals.

Electronic modifications from hydrogen spillover onto the oxide support increase the activity of single-atom rhodium catalysts.

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.

To improve our ability to “see” into the subsurface, scientists need to understand how different mineral surfaces respond to electrical signals at the molecular scale.

The surface oxygen functionality of graphene oxide may be tuned using ultraviolet light, affecting how differently charged ions move through the material.

Recycling polyolefin materials is challenging. One waste management strategy is plastic upcycling. New work demonstrates a single-step upcycling route coupling cracking and alkylation, recycling carbon and keeping valuable resources active.

When exposed to a sufficiently high dose of ionizing radiation, gibbsite and boehmite are less susceptible to dehydration-induced breakdown.

A new study examines the effect of peptoid sequences on the mechanisms and kinetics of their two-dimensional assembly on mica surfaces and how molecular interactions alter assembly kinetics.

A new approach validates quantum algorithms for low-energy nuclear physics 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 played host in mid-May to the Artificial Intelligence for Robust Engineering & Science workshop, an annual event that explores advances in artificial intelligence

PNNL shared recent developments in artificial intelligence at the inaugural Special Competitive Studies Project AI for National Competitiveness Expo.

New research investigating water-lean solvents for carbon dioxide capture identifies the unique chemistry possible with their use, may lead to new design principles that move beyond single carbon capture.

Long-range electron transfer reactions play important roles in many chemical and biochemical processes. A new study demonstrates that a common organic host molecule can behave like an alkali metal in long-range electron transfer reactions.

Twinned nanocrystals have unique physical and chemical properties, a variety of which are detailed by a new study. These findings can help guide future efforts in controlling twinning and detwinning in gold nanoparticles.

IDREAM scientists capture electronic response to ionization.

Practical decontamination of industrial wastewater depends on energy-efficient separations. This study explored using ionic liquids as part of the process, enabling efficient electrochemical separation from aqueous solutions.