Chemistry

Chemistry is fundamental to addressing global challenges in energy. At Argonne, scientists explore the full periodic table, examining chemical processes at the atomic and molecular levels to reveal insights that can spur breakthrough technologies.

Argonne’s chemical and molecular science program combines electrochemistry, actinide chemistry, separation science, chemical dynamics, ultrafast science, catalysis, photosynthesis, geochemical, and molecular design to tackle pressing issues such as chemical conversions, energy storage, and advanced manufacturing. Researchers leverage world-class facilities—including the Department of Energy’s Advanced Photon Source, Argonne Leadership Computing Facility, and the Center for Nanoscale Materials at Argonne—to simulate complex molecular systems, visualize chemical reactions in real time, and design new materials with unprecedented precision. Researchers also leverage unique laboratory facilities, such as the Accelerated Discovery Laboratory to accelerate the development of new materials and chemical processes.

Key areas of research and development include:

• Theoretical & computational chemistry — Providing a foundation for understanding chemistry and harnessing exascale computing and AI to model intricate chemical processes and guide discovery.
• Chemical dynamics — Determines the thermochemistry, dynamics, and kinetics of gas-phase chemical processes and explores the frontiers of X-ray science and X-ray applications for chemical systems.
• Ultrafast science — Using experiment, theory, and modeling to explore chemical reactions by tracking the motions of individual atoms, molecules, and electrons.
• Electrochemical energy storage — Innovating lithium- and sodium-ion energy storage chemistries, solid-state electrolytes, advanced silicon anodes, and direct recycling methods for next-generation energy systems.
• Separations science, actinide & geochemistry — Fundamental chemistry and physics of heavy elements, separations and interfacial geochemistry advancing the recovery of critical materials, nuclear fuel cycle sustainability, and reactivity at natural and electrochemical interfaces.
• Catalysis, electrochemistry & photochemistry — Enhancing thermo-, electro- and photo-catalytic transformations for efficient chemicals and fuel productions and energy conversion. Developing processes and materials to improve efficiency and lower the cost of electrochemical energy conversion for energy storage and chemical/fuel production and use.
• Chemical engineering — Translating bench scale discoveries to industrial scale with high-throughput research, techno-economic modeling, and collaborative partnerships.

By integrating fundamental research with engineering and applied materials science, Argonne’s chemists are developing practical solutions for critical materials recovery, chemical transformations, water purification, energy production, and the circular economy. Collaborations with government, industry, and academia ensure that Argonne’s chemical research addresses real-world needs, from novel energy storage systems to low-carbon manufacturing.