Nancy Makri is a professor in the Department of Chemistry and a part-time faculty member in the Beckman Institute Nanoelectronics and Nanomaterials Group. Her field of interest is quantum dynamics of polyatomic systems.

Education 

• B.S., University of Athens, 1985
• Ph.D., University of California, Berkeley, 1989.

• 2021: Member, American Academy of Arts and Sciences, elected 
• 2021: ACS Physical Chemistry Division Award in Theoretical Chemistry
• 2020: School of Chemical Sciences Teaching Award, University of Illinois
• 2019: The Löwdin Lecturer, Uppsala University, Sweden
• 2010: Member, International Academy of Quantum Molecular Science, elected 
• 2001: Fellow, American Physical Society, elected 
• 2000: Bodossaki Academic Prize in Physical Sciences

Research interests:

• Theoretical quantum dynamics of condensed phase processes, with applications to tunneling and coherence phenomena, proton and electron transfer reactions in solution and biological systems, and excitation energy transfer in molecular aggregates.

Makri's research focuses on advancing the theoretical understanding of quantum mechanical processes in large molecules and the condensed phase. Unless severe approximations are introduced, direct solution of the quantum mechanical equation of motion is feasible only for small molecules as it requires numerical effort that increases exponentially with the number of particles.

Using Feynman's path integral formulation of quantum dynamics as the starting point, a new methodology has recently been developed which has made long-time simulations of quantum dissipative systems feasible. The key features of this approach are the use of accurate propagators based on physically motivated reference systems, expression of the path integral in terms of optimal discrete variable representations and the formulation of an iterative scheme which allows calculation of the dynamics for very long-time intervals.

An intriguing problem in chemistry and materials research concerns the possibility of using coherent light to control the dynamics of complex molecular systems. Toward this goal, Makri's group is presently applying the above techniques to explore the interplay between time-dependent driving and dissipation with regard to the dynamics of simple tunneling systems. Understanding such effects is important for manipulating charge transfer in nanodevices, where electron-phonon interactions tend to drive the system toward the state of thermal equilibrium. Preliminary results indicate that under favorable conditions significant control of these processes can be achieved with weak continuous-wave fields. Other work in collaboration with members of the Photonic Systems Group focuses on enhancing the selectivity of elementary reactions on surfaces.

Makri's sources of funding include the Packard Foundation, the Dreyfus Foundation and the NSF.