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.

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

Jeff Burghardt is the chair of the technical program for the 59th US Rock Mechanics/Geomechanics Symposium of the American Rock Mechanics Association.

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

Chemist Wendy Shaw, a nationally recognized scientific leader, has been chosen to serve as the associate laboratory director for PNNL's Physical and Computational Sciences Directorate.

Researchers have created an algorithm that slashes the calculations necessary to prepare and customize data for quantum computing.

Researchers at PNNL are pursuing new approaches to understand, predict and control the phenome—the collection of biological traits within an organism shaped by its genes and interactions with the environment.

Nine national laboratories, including PNNL, bring together over 1,000 scientists for a day to use AI to accelerate scientific discovery.

This week at AAAS, PNNL scientists discuss phenomics and the factors that influence DNA instructions to bring about the world around us.

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

Four engineers at PNNL received awards for nuclear science presentations related to Hanford Site cleanup at the annual meeting of the world's leading organization for chemical engineering professionals.

Andrew Gettelman at PNNL elected as president of the Atmospheric Sciences section of the American Geophysical Union.

A potential quantum advantage for fluid dynamics simulations from molecular to atmospheric scales with a new formula for success.

RemPlex and IAEA convene international leaders to tackle recruitment and retention in complex environmental cleanup efforts.

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.