A new time-dependent wavefunction formulation for the cumulant Green’s functions can produce more accurate simulations.

Neural networks techniques enable the efficient capture of electron correlation effects in reduced-dimensionality spaces.

Developing a new scheme to more efficiently solve quantum chemistry problems.

Researchers can now quantify uncertainty in trained AI models aimed at solving difficult chemistry, biology and materials science problems.

Researchers have created an algorithm that slashes the calculations necessary to prepare and customize data for quantum computing.

Scientists are exploring how web search engine technology might also keep the lights on, the water running and the trains moving.

Mini flow cell battery provides the first step toward an AI-driven, robotic energy storage discovery laboratory.

Electronic structure codes in a cloud environment can enable efficient computational chemistry simulations.

A new generation of microelectronics research begins at PNNL.

Pacific Northwest National Laboratory researchers developed a new theoretical method for studying highly correlated systems.

Federal environmental permitting process to be fast-tracked with AI-powered tools and cloud-supported data analysis.

How to keep stray radiation from “shorting” superconducting qubits; a pair of studies shows where ionizing radiation is lurking and how to banish it.

Protecting critical systems such as the electrical grid from cyber-based risks to the supply chain is the focus of a new PNNL conference.

The speed and agility of cloud computing opens doors to completing advanced computational chemistry workflows in days instead of months.

Ultra-thin layers of silk deposited on graphene in perfect alignment represent a key advance for the control needed in microelectronics and advanced neural network development.

Three PNNL technologies have been named 2024 R&D 100 Award winners.

Researchers will explore climate, pathogens and energy-efficient microelectronics using 3 million node hours on the nation’s supercomputers.

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.”

Complex metal alloys enter a new era of predictive design for aerospace and other high-temperature applications.