Properly identifying iodoplumbate species that are present and stable in a perovskite precursor solution is vital. New research offers insight into reactivity and dynamical processes in solution and the chemical properties of precursors.

A new time-dependent wavefunction formulation for the cumulant Green’s functions can produce more accurate simulations.

Scientists are reviewing the current science of the mechanism and structural dynamics of methyl coenzyme-M reductase, an enzyme involved in biological methane conversion.

A team combined experiments and theory to predict the collective properties of electrolyte solutions.

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.

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

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

PNNL is hosting a scientific conference focused directly on understanding and predicting the collection of an organism’s traits.

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.

Circadian rhythms of blue-green microbes offer new window into predictive phenomics—how to predict and control the traits of an organism.

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.

Armed with some of the world’s most advanced instrumentation, researchers at PNNL are working to analyze huge amounts of data and uncover hidden biological connections.

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

By combining computational modeling with experimental research, scientists identified a promising composition that reduces the need for a critical material in an alloy that can withstand extreme environments.

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

PNNL chemical engineer Mariefel Olarte shares passion for mentoring students and the next-generation workforce.

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