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

A PNNL study developed a water management module for Xanthos that distinguishes between the operational characteristics of hydropower, irrigation, and flood control reservoirs.

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

A combined experimental and theoretical study identified multiple interactions that affect the performance of redox-active metal oxides for potential electrochemical separation and quantum computing applications.

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.

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

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.

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

A team of researchers developed a simulation approach to identify how atomic structures can affect the phonon transport of energy and information in quantum systems near absolute zero temperatures.

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

Using the connected moments mathematical technique decreases the time and computational power needed for performing quantum computing simulations.

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.