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

In soil, microbes produce and consume methane. Using a technique called pool dilution, researchers can separate the rate of methane production and consumption from the net rate.

The use of disciplines in pure mathematics can increase the reliability and explainability of machine learning models that “transcend human intuition,” according to PNNL scientists.

The Rapid Assessment of Platform Technologies to Expedite Response project aims to prepare against future pandemics.

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.

To overcome high-performance computing bottlenecks, a research team at PNNL proposed using graph theory, a mathematical field that explores relationships and connections between a number, or cluster, of points in a space.

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.

New PNNL research makes it easier to differentiate between chemical and nuclear explosions.

PNNL researchers use machine learning and data analytics to assist with detection of nuclear proliferation and nuclear material trafficking.

Scientists are pioneering approaches in the branch of artificial intelligence known as machine learning to design and train computer software programs that guide the development of new manufacturing processes.

In honor of National Intern Day, PNNL and intern Jonathan Mills were named among the Top 100 in the nation by early-career recruiting firm WayUp.

TransMED analyzes patient data from similar diseases across multiple sources to understand COVID-19 patient outcome risk factors.

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.

PNNL experts perform fundamental climate science work at multiple scales to understand impacts on energy, water, food, and infrastructure systems.

Focused research studies of advanced algorithms and materials are setting the stage for the next generation of quantum computers.

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

PNNL data scientists are refining their artificial intelligence tools with COVID-19 data to advance therapeutics and treatments for a future pandemic.