As new paradigms in advanced computing take shape, computational chemistry researchers are finding new ways to solve challenging chemistry problems.

The next-generation ShAPE machine has arrived at PNNL, where it will help prove the mettle of the ShAPE extrusion technique. ShAPE 2 is designed to allow researchers to produce larger, more complex extrusions.

Researchers seek to bring down costs, address potential environmental risks and maximize the benefits of harnessing wind energy above the deep waters of the Pacific.

The SHASTA program is doing a deep dive on subsurface hydrogen storage in underground caverns, helping to lay the foundation for a robust hydrogen economy.

Steven Spurgeon, materials scientist supporting the National Security Directorate at PNNL, was recently named lead machine learning editor for the journal Microscopy and Microanalysis.

A new AI model developed at PNNL can identify patterns in electron microscope images of materials without requiring human intervention, allowing for more accurate and consistent materials science.

Researchers at PNNL have developed a new technique to get a high-resolution look at how—and why—corrosion happens.

In 2006, battery research was practically non-existent at PNNL. Today, the lab is lauded for its battery research. How did PNNL go from a new player to a leader in state-of-the-art storage for EVs and the grid?

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

PNNL is supporting the Department of Homeland Security Science and Technology Directorate's Chemical Security Analysis Center in improving capabilities to enhance detection and analysis of chemical threats.

PNNL scientists have put forth a new approach to protect the electric grid, creating an approach that sorts and prioritizes cyber threats on the fly.

PNNL chief scientist and joint appointee Auroop Ganguly was recently appointed a Distinguished Member of the Association for Computing Machinery, a high honor from the world's largest computer science society.

Models have identified a new source of anthropogenic emissions driving the observed weakening of the Atlantic Meridional Overturning Circulation.

ChatGrid™ is a practical application of the Department of Energy’s exascale computing efforts and offers a new experience in easy, intuitive, and interactive data interaction.

The physics-informed machine learning optimization framework is now PNNL’s most popular open-source repository on GitHub.

Samantha Erwin, a PNNL data scientist, was recently appointed to the Society for Industrial and Applied Mathematics Membership Committee.

PNNL researchers use chemometric analysis to model chemistry in molten salt.

The nation is closer to its offshore wind energy goals than ever before, but better wind forecasting is still needed. To address this challenge, PNNL and collaborators are charting a new course with help from novel technology.

Ang participated in a White House-hosted CHIPS R&D event and roundtable discussion with senior leaders from industry, academia and key government agencies.

Identifying how curvature affects the doping and hydrogen binding energies of carbon-based materials provides a framework for designing hydrogen storage materials.