Longtime PNNL Collaborator Received Nobel Prize
University of Washington Professor David Baker won the 2024 Nobel Prize in Chemistry for computational protein design.
ACS Spring 2024
Join researchers from PNNL at the American Chemical Society Spring 2024 meeting as they present findings from their latest research in chemistry and materials.
CTCI Leadership & Members
Computational chemistry expertise includes disciplines such as chemical physics, catalysis, synthesis, separations, materials chemistry, and biophysical and environmental sciences.
Long-Duration Energy Storage Can’t Wait
Long-duration energy storage gets the spotlight in a new Energy Storage Research Alliance featuring PNNL innovations, like a molecular digital twin and advanced instrumentation.
Xiaosong Li Receives American Chemical Society Award for Theoretical Physical Chemistry
The 2024 Jack Simons Award honor recognizes Li for his expertise in integrating chemistry with computing for fundamental science research.
Using Ion Soft Landing to Solve Hard Energy Problems
In adjoining Energy Sciences Center laboratories, researchers develop better energy storage devices by understanding the fundamental reactions that form interfaces.
Democratizing Computational Chemistry with the Cloud
PNNL Program Development Office Director Karl Mueller explains how the TEC4 project seeks to make advanced chemical computations accessible to all.
Controlling Hydrogenation through Molecular Structure and Electric Potential
Using electrocatalysis offers a different path for reactions involving polar groups.
Crystallization of Calcium Carbonate Via a Dense Liquid Phase
Calcium carbonate mineralization occurs through a multi-step process that begins with a dense liquid phase.
Identifying the Maximum Impact of Ionic Strength on Reaction Rates within Zeolite Pores
Within zeolite pores, rates of alcohol dehydration increase with ionic strength until reaching a maximum and then decreasing.