New research investigating water-lean solvents for carbon dioxide capture identifies the unique chemistry possible with their use, may lead to new design principles that move beyond single carbon capture.

In a new approach, quantum flow algorithms are used to simulate many-body systems on quantum computers and effectively describe chemical processes.

Soil is a massive reservoir of carbon, holding three times the amount of carbon than in the atmosphere. Soil is a massive reservoir of carbon, holding three times the amount of carbon than in the atmosphere.

A suite of experiments provide insight into how diopside reacts with carbon dioxide to form stable carbonate species.

The diversity and function of organic matter in rivers at a large scale are influenced by factors, such as the types of vegetation covering the land, the energy characteristics, and the breakdown potential of the molecules.

Across the United States, organic carbon concentration imposes a primary control on river sediment respiration, with additional influences from organic matter chemistry.

Metabolomics analysis revealed differences in metabolome profiles for two distinct modes of fungal wood decay.

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.

First-of-its-kind genomic catalog lends insight into previously unknown processes at the river’s edge.

A team from the Environmental Molecular Sciences Laboratory published research, demonstrating that the soil microbes were directly involved in the stabilization of soil organic carbon and mineral weathering.

The work by the team at PNNL takes a critical step in leveraging ML to accelerate advanced manufacturing R&D, specifically for manufacturing techniques without access to efficient, first-principles simulations.

A review article examines a decade of work on the atom-scale process of turning carbon dioxide into stable minerals.

PNNL researchers developed a hybrid quantum-classical approach for coupled-cluster Green’s function theory that maintains accuracy while cutting computational costs.

PNNL researchers created a model that helps materials scientists not only predict what is, but what could be.

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

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.

Quantum simulators help navigate noise on GPU-based HPC systems.

PNNL researchers utilized the Peeters-Devreese-Soldatov formulation to improve the accuracy of calculations for quantum chemistry.

PNNL researchers developed a way to produce accurate simulations of complex physical systems using renormalized approximations across multiple scales

A new microbial community model reveals previous exposure to hydrologic variation influences a species’ specialized biogeochemical functions.