相关论文: Modified-scaled hierarchical equation of motion ap…
Energy transport in photosynthetic systems can be tremendously efficient. In particular we study exciton transport in the Fenna-Mathews-Olsen (FMO) complex found in green sulphur bacteria. The exciton dynamics and energy transfer efficiency…
We combine the coherent modified Redfield theory (CMRT) with the equation of motion-phase matching approach (PMA) to calculate two-dimensional photon echo spectra for photoactive molecular complexes with an intermediate strength of the…
During the first steps of photosynthesis, the energy of impinging solar photons is transformed into electronic excitation energy of the light-harvesting biomolecular complexes. The subsequent energy transfer to the reaction center is…
We study theoretically the bio-sensing capabilities of metal nanowire surface plasmons. As a specific example, we couple the nanowire to specific sites (bacteriochlorophyll) of the Fenna-Matthews-Olson (FMO) photosynthetic pigment protein…
We show that the coherence between different bacteriochlorophyll-a (BChla) sites in the Fenna-Mathews-Olson complex is an essential ingredient for excitation energy transfer between various sites. The coherence delocalizes the excitation…
We extract the site energies and spectral densities of the Fenna-Matthews-Olson (FMO) pigment protein complex of green sulphur bacteria from simulations of molecular dynamics combined with energy gap calculations. Comparing four different…
Understanding the mechanisms of efficient and robust energy transfer in light-harvesting systems provides new insights for the optimal design of artificial systems. In this paper, we use the Fenna-Matthews-Olson (FMO) protein complex and…
It is shown that energy transfer in a homogeneous fully connected quantum network is assisted by a decohering interaction with environmental spins. Analytic expressions for the transfer probabilities are obtained for the zero temperature…
The photoexcitation dynamics of molecular materials on the 10-100 nm length scale depend on complex interactions between the electronic and vibrational degrees of freedom, rendering exact calculations difficult or intractable. The adaptive…
To investigate a system coupled to a harmonic oscillator bath, we propose a new approach based on a phonon number representation of the bath. Compared to the method of the hierarchical equations of motion, the new approach is…
The conversion of an absorbed photon from the exciton energy into the reaction centre in the photosynthetic complex has a near unit efficiency. It is becoming clear that any classical model, where the exciton hopping is modeled by a…
The excitation energy transfer (EET) in Fenna-Matthews-Olson (FMO) complex has been investigated in the presence of realistic inhomogeneous protein environment around different bacteriochlorophyll-a (BChla) sites of a 8-site monomer. We…
We report a scalable Fortran implementation of the phaseless auxiliary-field quantum Monte Carlo (ph-AFQMC) and demonstrate its excellent performance and beneficial scaling with respect to system size. Furthermore, we investigate…
We extend the scope of full configuration interaction quantum Monte Carlo (FCIQMC) to be applied to coupled fermion-boson hamiltonians, alleviating the a priori truncation in boson occupation which is necessary for many other wave function…
The structure of Fenna-Matthews-Olson (FMO) light-harvesting complex has long been recognized as containing seven bacteriochlorophyll (BChl) molecules. Recently, an additional BChl molecule was discovered in the crystal structure of the FMO…
Excitation transfer through interacting systems plays an important role in many areas of physics, chemistry, and biology. The uncontrollable interaction of the transmission network with a noisy environment is usually assumed to deteriorate…
Time-resolved spectroscopy provides the main tool for analyzing the dynamics of excitonic energy transfer in light-harvesting complexes. To infer time-scales and effective coupling parameters from experimental data requires to develop…
Transient quantum dynamics in an interacting fermion-phonon system are investigated. In particular, a charge order (CO) melting after a short optical-pulse irradiation and roles of the quantum phonons on the transient dynamics are focused…
We analyze the role of coherent, non-perturbative system-bath interactions in a photosynthetic heat engine. Using the reaction-coordinate formalism to describe the vibrational phonon-environment in the engine, we analyze the efficiency…
We have evaluated excitation energy transfer rates in photosyntetic complexes using the exact HEOM method and various approximate methods frequently used in the literature, namely, the F\"orster method, the Redfield method, the modified…