The World Association of Theoretical and Computational Chemists (WATOC) has named Professor Laura Gagliardi as the recipient of the 2026 Schrödinger Medal.
This honor places Gagliardi among theoretical chemistry icons such as Nobel laureates John Pople and Roald Hoffmann. As one of the field’s highest honors, the Schrödinger Medal acknowledges not only Gagliardi’s mathematical rigor but also her vision in applying the world’s most complex equations to the planet’s most urgent problems.
This recognition arrives at a historic moment, as 2026 marks the centenary of the Schrödinger equation, the fundamental formula serving as the cornerstone of modern quantum chemistry. In their citation, the committee specifically cited Gagliardi for her “seminal contributions to multireference electronic-structure theory” and her “transformative applications of these theories to catalysis, carbon capture, and water harvesting materials.”
While traditional chemical models assume electrons occupy a single arrangement, Professor Gagliardi’s multireference theory accounts for "strong correlation" where electrons exist in multiple configurations simultaneously. She transformed this intricate math into a practical engine for discovery through her development of Multiconfiguration Pair-Density Functional Theory (MC-PDFT). Additionally, by pioneering Local Active Space (LAS) methods to break large-scale chemistry into smaller, manageable pieces, she provided the digital blueprints for complex molecular systems that were previously impossible to simulate with high precision.
Professor Gagliardi’s methodology has facilitated transformative applications in catalysis, carbon capture, and water harvesting by enabling the design of materials that function as molecular sponges. As the director of the Center for Advanced Materials for Environmental Solutions (CAMES), she has applied these tools to engineer metal-organic frameworks capable of extracting water from arid air. Beyond atmospheric solutions, her leadership at the Catalyst Design for Decarbonization Center (CD4DC) leverages multireference models to predict how advanced catalysts can drive more efficient industrial reactions, proving that high-fidelity simulation is now the primary engine for global sustainability.
“These achievements have been possible because I have had the privilege of working in the highly collaborative and intellectually inspiring environment of the University of Chicago, with exceptional students, postdocs and colleagues,” Gagliardi said.
The Schrödinger Medal underscores Professor Gagliardi’s career-long dedication to aligning the rigors of theoretical chemistry with the urgent needs of the global community. Her work exemplifies the best of the University of Chicago’s commitment to high-impact research, demonstrating how the evolution of quantum mechanics can directly catalyze the sustainable technologies required for a more resilient future.
About Professor Laura Gagliardi
Laura Gagliardi is the Richard and Kathy Leventhal Professor in the Department of Chemistry and the Pritzker School of Molecular Engineering at the University of Chicago. A member of the National Academy of Sciences and the American Academy of Arts and Sciences, her career is marked by elite accolades including the 2025 Solvay Chair in Chemistry and the ACS Peter Debye Award. Currently serving as the Editor-in-Chief of the Journal of Chemical Theory and Computation, she remains a leading advocate for integrating machine learning and quantum chemistry to solve global energy crises. Her recognition with the Schrödinger Medal reaffirms the University of Chicago’s leadership in high-impact research and ensures that the next century of computational chemistry is defined by its capacity to solve the most pressing environmental challenges of our time.