A team of scientists at PNNL developed new computational models to predict the behavior of these impurities and reduce the expense and risk related to actinide metal production.

New research reveals enhanced CO2 transport across a polyether ether ketone membrane and water-lean solvent interface

Researchers from Pacific Northwest National Laboratory created and embedded a physics-informed deep neural network that can learn as it processes data.

IDREAM research shows that keeping only the most important two- and three-body terms in reactive force fields can decrease computational cost by one order of magnitude, while preserving satisfactory accuracy.

This study demonstrated that a large-scale flooding experiment in coastal Maryland, USA, aiming to understand how freshwater and saltwater floods may alter soil biogeochemical cycles and vegetation in a deciduous coastal forest.

Computational chemistry libraries from NWChem, NWChemEX, SPEC, and more are now available on Azure Quantum Elements.

Research from PNNL and the University of Washington demonstrates the extension of the MBE for periodic systems and its use to decompose the lattice energies of different ice polymorphs.

Advances in understanding the nature of the chemical bond are featured in this special issue of The Journal of Chemical Physics.

A combined experimental and computational approach showed that the hydration shell of hydroxide has a four-coordinate binding.

A combined experimental and modeling study shows that electronic interactions direct how a metal-organic framework grows.

Microbes that were previously frozen in soils are becoming more active. This study demonstrates the diverse RNA viral communities found in thawed permafrost.

A new approach broadens the reach of quantum computers to previously challenging systems.

Organismal contribution and community interaction drive soil organic matter breakdown by microbes.

Proteins from “auxiliary” genes in soil viruses play a role in the carbon cycle and climate, scientists have found.

A new study shows how organic molecules respond to global change varies according to functional traits and ecological processes.

The size of the alkali metal within the material influences the crystallization pathway.

Providing a perspective on the importance of integrating experimental work with theory and simulations when designing new carbon capture solvents.

Soil transplant experiment gives new insights into coastal forest resilience, rising seas, and increasing storms.

ICON science is a Department of Energy-developed framework to enhance scientific outcomes via more intentional design of research efforts across all domains of science.

A novel ecological measurement uncovered interactions between river corridor organic matter assemblages and microbial communities, highlighting potentially important microbial taxa and molecular formula types.