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

A review article led by researcher Jade Holliman explores the different classes of metamaterials, from the underlying fundamental science to potential applications.

New research makes molecular-level calculations of water faster and easier.

Updated flexible software generates and optimizes monitoring programs for detecting potential leaks from geological carbon storage with an enhanced user experience.

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

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

A code comparison study demonstrates a leap in the accuracy and reliability of modeling gas hydrate for the discovery and production of natural gas.

Contributions from researchers across Pacific Northwest National Laboratory (PNNL) were recently recognized in the preliminary findings of a Secretary of Energy Advisory Board (SEAB) report.