We use numerically exact, fully quantum mechanical real-time path integral methods to investigate delicate quantum coherence effects in large molecular aggregates and condensed phase processes.
Work supported by the NSF Center for Synthesizing Quantum Coherence:
- Franck-Condon and Herzberg-Teller interference in molecular spectra
- Exciton dynamics and vibronic effects in cofacial porphyrin dimers
- Quantum coherence in exciton-vibration dynamics
- Coherence of interacting spins coupled to dissipative phonon environments
- S. Kundu, P. P. Roy, G. R. Fleming and N. Makri*, “Franck-Condon and Herzberg-Teller signatures in molecular absorption and emission spectra”, J. Phys. Chem. B (in press).
- P. P. Roy, S. Kundu, J. Valdiviezo, G. Bullard, James T. Fletcher, Rui Liu, S. J. Yang, P. Zhang, D. N. Beratan, M. J. Therien, N. Makri* and G. R. Fleming*, “Synthetic control of exciton dynamics in bioinspired cofacial porphyrin dimers”, J. Amer. Chem. Soc. (in press).
- S. Kundu and N. Makri, Intramolecular vibrations in excitation energy transfer: Insights from Real-Time Path Integral Calculations, Annu. Rev. Phys. Chem. 73, 349-375 (2022).
- R. Dani and N. Makri, Quantum quench and coherent–incoherent dynamics of Ising chains interacting with dissipative baths, J. Chem. Phys. 155, 234705 (2021).
- S. Kundu and N. Makri, “Origin of vibrational features in the excitation energy transfer dynamics of perylene bisimide J-aggregates”, J. Chem. Phys. 154, 114301 (2021).
- S. Chatterjee and N. Makri, “Density matrix and purity evolution in dissipative two-level systems: I. Theory and path integral results for tunneling dynamics”, Phys. Chem. Chem. Phys. 23, 5113-5124 (2021).
- S Chatterjee and N Makri, “Recovery of Purity in Dissipative Tunneling Dynamics”, J. Phys. Chem. Lett. 11, 8592-8596 (2020).