Related papers: Correlated vibration-solvent and Duschinsky effect…
We performed rheological measurements of the typical deep eutectic solvents (DESs) glyceline, ethaline, and reline in a very broad temperature and dynamic range, extending from the low-viscosity to the high-viscosity supercooled-liquid…
We study the evolution of entanglement of a pair of coupled, non-resonant harmonic oscillators in contact with an environment. For both the cases of a common bath and of two separate baths for each of the oscillators, a full master equation…
In this work, we develop an extended dissipaton theory that generalizes the environmental couplings beyond the conventional linear and quadratic forms, enabling the treatment of arbitrary order of bath couplings. Applying this theoretical…
Long-lived beatings in two-dimensional electronic spectroscopy (2DES) remain difficult to interpret within standard excitonic open-system models, which typically assume factorized initialization and predict rapid coherence decay. We show…
This work is a pedagogical survey about the hierarchical equations of motion and their implementation with the tensor-train format. These equations are a great standard in non-perturbative non-Markovian open quantum systems. They are exact…
This thesis is devoted to the study of quantum mechanical effects that arise in systems of reduced dimensionality. Specifically, we investigate coherence and correlation effects in quantum transport models. In the first part, we present a…
Calculations of propagating quantum trajectories associated to a wave function provide new insight into quantum processes such as particle scattering and diffraction. Here, hydrodynamic calculations of electron beam imaging under conditions…
In this work, we examine how the structure of system-bath interactions can determine commonly encountered temporal decoherence patterns, such as Gaussian and exponential decay, in molecular and other qubits coupled to a thermal bosonic…
We show how a strongly driven single-mode oscillator coupled to a first-order dynamical system gives rise to induced absorption or gain of a weak probe beam, and associated fast or slow light depending on the detuning conditions. We derive…
We rigorously investigate the quantum non-Markovian dissipative dynamics of a system coupled to a harmonic oscillator bath by deriving hierarchical Schrodinger equations of motion (HSEOM) and studying their dynamics. The HSEOM are the…
In the field of chemistry, where nuclear motion has traditionally been a focal point, we now explore the ultra-rapid electronic motion spanning attoseconds to femtoseconds, demonstrating that it is equally integral and relevant to the…
Electron energy loss spectroscopy is consolidating as a powerful tool to explore electronic (as well as vibrational) excitations of matter, including molecules. Performed in a scanning transmission electron microscope, this technique is…
The recent experimental discoveries about excitation energy transfer (EET) in light harvesting antenna (LHA) attract a lot of interest. As an open non-equilibrium quantum system, the EET demands more rigorous theoretical framework to…
In this study equilibrium isotope effects (EIEs) on evaporation to several organic solvents (bromobenzene, dibromomethane, ethanol, methanol, and trichloromethane) in the pure phase are estimated employing Kohn-Sham Density functional…
Emulation of energy transfer processes in natural systems on quantum platforms can further our understanding of complex dynamics in nature. One notable example is the demonstration of vibrationally assisted energy transfer (VAET) on a…
We investigate Bloch oscillations of wave packets in monolayer phosphorene with broken inversion symmetry. We find that the real space trajectories, Berry and group velocities of Bloch electron undergo Bloch oscillations in the system. The…
Motivated by a proposed olfactory mechanism based on a vibrationally-activated molecular switch, we study electron transport within a donor-acceptor pair that is coupled to a vibrational mode and embedded in a surrounding environment. We…
The non-equilibrium state of two oscillators with a mutual interaction and coupled to separate heat baths is discussed. Bosonic baths are considered, and an exact spectral representation for the elements of the covariance matrix is provided…
The interplay of nuclear and electronic dynamics characterizes the multi-dimensional electronic spectra of various molecular and solid-state systems. Theoretically, the observable effect of such interplay can be accounted for by response…
Simulating the irreversible quantum dynamics of exciton and electron transfer problems poses a nontrivial challenge. Because the irreversibility of the system dynamics is a result of quantum thermal activation and dissipation caused by the…