Neural networks techniques enable the efficient capture of electron correlation effects in reduced-dimensionality spaces.

Under an optical field, nanoparticle attachment in a model system heavily depends on surface roughness.

Directionally biased electrostatic interactions are the key to significantly tuning the reduction potential of iron/sulfur clusters.

A new study led by PNNL researcher TC Chakraborty provides some answers about how irrigated agricultural land near cities affects urban heat stress.

Researchers at PNNL advised elementary and middle school student teams with their problem-solving research for the FIRST® LEGO® League robotics competitions.

Developing a new scheme to more efficiently solve quantum chemistry problems.

Increasing concentrations of ions slows the rate of particle aggregation in boehmite suspensions.

The ARPA-E Energy Innovation Summit brings together researchers, industry leaders, entrepreneurs, and investors to showcase the latest technologies shaping tomorrow’s energy landscape. This year, eight projects led by PNNL were featured.

PNNL Program Development Office Director Karl Mueller explains how the TEC4 project seeks to make advanced chemical computations accessible to all.

Electronic structure codes in a cloud environment can enable efficient computational chemistry simulations.

Molecular simulations highlight the key interactions between mineral surfaces and organic matter that lead to carbon stabilization in soils.

CACTUS provides AI-powered cheminformatics for autonomous science.

New IDREAM research explores the effects of electrolyte species on boehmite nanoparticle aggregation in legacy wastes.

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

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

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.

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

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

PNNL Ocean Engineer James McVey collaborates with U.S. company Noria Energy on floating solar technologies through DOE voucher program.

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