Presented By: Department of Physics
Interdisciplinary QC/CM Seminar | Dynamics and Thermodynamics of Single Molecule Junctions: A Green's Function Perspective
Michael Galperin (UCSB)
Nonlinear optical spectroscopy has been developed and widely utilized as control and characterization tool in studies of optical response of molecules. Similarly, nonadiabatic molecular dynamics is a fundamental problem related to breakdown of timescale separation between electron and nuclear dynamics. It plays an important role in many processes from chemistry and photochemistry to spectroscopy and non-radiative electronic relaxation and from electron and proton transfer to coherent control and photo induced energy transfer. Theoretical studies of energy storage and conversion usually rely on macroscopic thermodynamic formulation.
The progress of experimental techniques at the nanoscale made measurements of responses of single molecule junctions a reality. Proper description of such open nonequilibrium systems is a challenging theoretical problem. For example, optical spectroscopy of open nonequilibrium systems is a natural meeting point for at least two research areas: nonlinear optical spectroscopy and quantum transport; while proper description of performance of nanoscale devices for energy conversion requires development of nonequilibrium quantum thermodynamics. I’ll review our attempts in theoretical formulation of optical spectroscopy, non adiabatic molecular dynamics and quantum thermodynamics using nonequilibrium Green’s function techniques.
References
[1] N. Seshadri and M. Galperin, Phys. Rev. B 103, 085415 (2021).
[2] N. Bergmann and M. Galperin, Eur. Phys. J. Spec. Top. 230, 859-866 (2021).
[3] G. Cohen and M. Galperin, J. Chem. Phys. 152, 090901 (2020).
[4] F. Chen, K. Miwa, and M. Galperin, J. Phys. Chem. A 123, 693-701 (2019).
[5] S. Mukamel and M. Galperin, J. Phys. Chem. C 123, 29015-29023 (2019).
[6] F. Chen, M. A. Ochoa, and M. Galperin, J. Chem. Phys. 146, 092301 (2017).
[7] K. Miwa, F. Chen, and M. Galperin, Sci. Rep. 7, 9735 (2017)
[8] M. Galperin, Chem. Soc. Rev. 46, 4000-4019 (2017).
[9] K. Miwa, A. M. Najarian, R. L. McCreery, and M. Galperin, J. Phys. Chem. Lett. 10, 1550-1557 (2019).
[10] K. Miwa, H. Imada, M. Imai-Imada, K. Kimura, M. Galperin, and Y. Kim, Nano Lett. 19, 2803-2811 (2019).
The progress of experimental techniques at the nanoscale made measurements of responses of single molecule junctions a reality. Proper description of such open nonequilibrium systems is a challenging theoretical problem. For example, optical spectroscopy of open nonequilibrium systems is a natural meeting point for at least two research areas: nonlinear optical spectroscopy and quantum transport; while proper description of performance of nanoscale devices for energy conversion requires development of nonequilibrium quantum thermodynamics. I’ll review our attempts in theoretical formulation of optical spectroscopy, non adiabatic molecular dynamics and quantum thermodynamics using nonequilibrium Green’s function techniques.
References
[1] N. Seshadri and M. Galperin, Phys. Rev. B 103, 085415 (2021).
[2] N. Bergmann and M. Galperin, Eur. Phys. J. Spec. Top. 230, 859-866 (2021).
[3] G. Cohen and M. Galperin, J. Chem. Phys. 152, 090901 (2020).
[4] F. Chen, K. Miwa, and M. Galperin, J. Phys. Chem. A 123, 693-701 (2019).
[5] S. Mukamel and M. Galperin, J. Phys. Chem. C 123, 29015-29023 (2019).
[6] F. Chen, M. A. Ochoa, and M. Galperin, J. Chem. Phys. 146, 092301 (2017).
[7] K. Miwa, F. Chen, and M. Galperin, Sci. Rep. 7, 9735 (2017)
[8] M. Galperin, Chem. Soc. Rev. 46, 4000-4019 (2017).
[9] K. Miwa, A. M. Najarian, R. L. McCreery, and M. Galperin, J. Phys. Chem. Lett. 10, 1550-1557 (2019).
[10] K. Miwa, H. Imada, M. Imai-Imada, K. Kimura, M. Galperin, and Y. Kim, Nano Lett. 19, 2803-2811 (2019).
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