A new approach combining computational processes enables the more accurate simulation of nuclear quantum effects in molecular systems.

Researchers from PNNL and Parallel Works, Inc., applied machine learning methods to predict how much oxygen and nutrients are used by microorganisms in river sediments.

This study presents an automated method to detect and classify open- and closed-cell mesoscale cellular convection (MCC) using long-term ground-based radar observations.

Computing and artificial intelligence aid scientists who seek to understand function-driven design and control of biological systems.

A team of researchers from Pacific Northwest National Laboratory and the Environmental Molecular Sciences Laboratory developed a new and flexible software tool called “Advanced Spectra PCA Toolbox.”

Machine learning methods and data science can uncover hidden patterns in nanoparticle synthesis conditions and property outcomes.

Data-driven autonomous technology to rapidly design and deliver antiviral interventions targeting SARS-CoV-2 to reduce drug discovery timeline and advance bio preparedness capabilities.

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.

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

PNNL researchers design an artificial intelligence-guided electron microscope in a Laboratory Directed Research and Development study.

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

A multi-institutional team has developed a deep learning framework to identify novel molecules as drug candidates.

Researchers developed a new tool that combines artificial intelligence and microscopy data to rapidly test new materials for fusion reactor use.

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.