Chemist Wendy Shaw, a nationally recognized scientific leader, has been chosen to serve as the associate laboratory director for PNNL's Physical and Computational Sciences Directorate.

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

Nine national laboratories, including PNNL, bring together over 1,000 scientists for a day to use AI to accelerate scientific discovery.

A potential quantum advantage for fluid dynamics simulations from molecular to atmospheric scales with a new formula for success.

Calculating quantum chemistry quickly allows scientists to refine their understanding of complex chemical systems.

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

Three PNNL researchers will receive five continuous years of funding for projects through highly competitive DOE Early Career Research Program awards.

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

PNNL researchers learn to control peptoid “handedness,” one key to precision drug delivery and diagnostics.

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

Converting seawater into hydrogen fuel using electrochemistry offers a renewable energy future for Guam.

PNNL scientists are creating new ways to learn more about the vast sea of chemicals that haven't been identified—yet.

Researchers created the first open-source database of exotic materials eyed for use in quantum applications.

Fundamental research conducted at the $90-million research facility will help the nation meet its clean energy goals.

PNNL researchers are studying catalysts that are key to dealing with waste and producing sustainable energy.

Creating films with atomic precision allows researchers moving to the Energy Sciences Center to identify small, but important changes in the materials.

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

Research into practical systems for chemical energy storage will be a focus at the Energy Sciences Center.

Bojana Ginovska leads a physical biosciences research team headed for PNNL's new Energy Sciences Center. She uses the transformative power of molecular catalysis and enzymes to explore scientific principles.

New research aids the design of more efficient water purification technologies.