Exciton Transport

Impact of Loss Mechanisms on Linear Spectra of Excitonic and Polaritonic Aggregates
Let’s study spectra for lossy systems! How would the line shapes be affected? How do we exactly quantify the impact of such changes? Our Path Integral Lindblad Dynamics method provides a perfect way of answering these questions. Walk with us while we explore these questions…
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Impact of Loss Mechanisms on Linear Spectra of Excitonic and Polaritonic Aggregates
Incorporation of Empirical Gain and Loss Mechanisms in Open Quantum Systems through Path Integral Lindblad Dynamics
How does one incorporate loss and gain mechanisms determined by empirical time-scales in an otherwise numerically exact computation? One way is by combining Lindblad master equations with path integral simulations. Why would one do this? Where are the details? Read more to find out…
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Incorporation of Empirical Gain and Loss Mechanisms in Open Quantum Systems through Path Integral Lindblad Dynamics
Impact of Spatial Inhomogeneity on Excitation Energy Transport in the Fenna–Matthews–Olson Complex
The different chromophores of the Fenna-Matthews-Olson complex are exposed to different environments. Using path integral simulations and our state-to-state analysis technique, we explore the effect of this inhomogeneity of environment on the exciton transport process. Read more…
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Impact of Spatial Inhomogeneity on Excitation Energy Transport in the Fenna–Matthews–Olson Complex
Impact of Solvent on State-to-State Population Transport in Multistate Systems Using Coherences
Understanding the pathways taken by a quantum particle during a transport process is an enormous challenge. There are broadly two …
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Impact of Solvent on State-to-State Population Transport in Multistate Systems Using Coherences
Effect of temperature gradient on quantum transport
The recently introduced multisite tensor network path integral (MS-TNPI) method [Bose and Walters, J. Chem. Phys., 2022, 156, 24101] …
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Effect of temperature gradient on quantum transport
Tensor Network Path Integral Study of Dynamics in B850 LH2 Ring with Atomistically Derived Vibrations
A study of excitonic dynamics and absorption spectra of the LH-II B850 photosynthetic ring using the Multisite Tensor Network Path Integral approach. Read in full detail…
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Tensor Network Path Integral Study of Dynamics in B850 LH2 Ring with Atomistically Derived Vibrations
All-Mode Quantum–Classical Path Integral Simulation of Bacteriochlorophyll Dimer Exciton-Vibration Dynamics
We use the quantum–classical path integral (QCPI) methodology to report numerically exact, fully quantum mechanical results for the …
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All-Mode Quantum–Classical Path Integral Simulation of Bacteriochlorophyll Dimer Exciton-Vibration Dynamics