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

Flexible, high-throughput proteomics approach identifies protein modifications related to pancreatic stress and insulin production.

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.

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

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

Scientists map how transitions from day to night control gene regulatory networks in cyanobacteria, revealing key orchestrators of metabolic switching.

Scientists uncover how cyanobacteria's circadian cycle controls carbon and energy metabolism, increasing carbon dioxide-to-bioproducts yields.

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.

PNNL scientists use proteomics to unveil how high-density lipoproteins protect against cholesterol accumulation in the artery wall.

Computing and artificial intelligence aid scientists who seek to understand function-driven design and control of biological systems.

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