Related papers: Exact description of excitonic dynamics in molecul…
Light-harvesting and excitation energy transfer in photosynthesis generally involve chlorophyll-molecules, maintained by their host proteins at short distances from each other, this resulting in excitonic coupling. The transfer of…
The dynamics of pigment-pigment and pigment-protein interactions in light-harvesting complexes is studied with a novel approach which combines molecular dynamics (MD) simulations with quantum chemistry (QC) calculations. The MD simulations…
The momentum-space signatures of excitons can be experimentally accessed through time-resolved (pump-probe) photoelectron spectroscopy. In this work, we develop a computational framework for exciton photoemission orbital tomography (exPOT)…
In this Article we perform a systematic study of the global entanglement and exciton coherence length dynamics coherence in natural light-harvesting system Fenna-Matthews-Olson (FMO) complex across various parameters of a dissipative…
We formulate a comprehensive theoretical description of excitation harvesting in molecular aggregates photoexcited by weak incoherent radiation. An efficient numerical scheme that respects the continuity equation for excitation fluxes is…
Usually the study of energy-transfer in the light harvesting complex is limited by a single-exciton motion along the antenna. Starting from the many-body Schr\"odinger equation, we derived Lindblad-type Master equations describing the…
The ultrafast quantum dynamics of photophysical processes in complex molecules is an extremely challenging computational problem with a wide variety of fascinating applications in quantum chemistry and biology. Inspired by recent…
In this paper, we apply the recently developed ab initio renormalized excitonic method (REM) to the excitation energy calculations of various molecular aggregates, through the extension of REM to the time-dependent density functional theory…
Optical excitation and control of excitonic wavepackets in organic molecules is the basis to energy conversion processes. To gain insights into such processes, it is essential to establish the relationship between the coherence timescales…
Thanks to their exceptional spatial, spectral and temporal resolution, highly-coherent free-electron beams have emerged as powerful probes for material excitations, enabling their characterization even in the quantum regime. Here, we…
Photoinduced dynamics in an excitonic insulator is studied theoretically by using a two-orbital Hubbard model on the square lattice where the excitonic phase in the ground state is characterized by the BCS-BEC crossover as a function of the…
Starting from the many-body Schr\"odinger equation, we derive a new type of Lindblad Master equations describing a cyclic exciton/electron dynamics in the light harvesting complex and the reaction center. These equations resemble the Master…
Relaxation processes following light excitation in semiconductors are key in materials-based quantum technology applications. These processes are broadly studied in atomically thin transition metal dichalcogenides (TMDs),…
We quantify the excitonic coupling in the homodimer of dimeric Venus fluorescent protein using a quantum-classical hybrid workflow. Employing a transition-density coupling formalism, we calculate $J = 74.38~\mathrm{cm^{-1}}$, which is 5.6…
We investigate the effect of nonlocal interactions on the photo-doped Mott insulating state of the two-dimensional Hubbard model using a nonequilibrium generalization of the dynamical cluster approximation. In particular, we compare the…
An open quantum system refers to a system that is further coupled to a bath system consisting of surrounding radiation fields, atoms, molecules, or proteins. The bath system is typically modeled by an infinite number of harmonic…
We theoretically investigate an exciton transfer process in a donor domain of organic photovoltaic cells focusing on the roles of local and nonlocal electron-phonon interactions. Our model consists of a three-level system described by the…
The high flexibility of organic molecules offers great potential for designing the optical properties of light-active materials for the next generation of optoelectronic and photonic applications. However, despite successful implementations…
Experiments show that light-matter strong coupling affects chemical properties, though the underlying mechanism remains unclear. We present an ab initio quantum electrodynamics coupled cluster method for the collective strong coupling…
We compare four different types of equations of motion for reduced density matrix of a system of molecular excitons interacting with thermodynamic bath. All four equations are of second order in the linear system-bath interaction…