Related papers: Higher harmonics and ac transport from time depend…
We present a comprehensive theoretical investigation on the dynamic electronic response of a noninteracting quantum dot system to various forms of time-dependent voltage applied to the single contact lead. Numerical simulations are carried…
We investigate dynamic properties of inhomogeneous nano-materials, which appear in analytical descriptions typically as series of $\delta$-functions with corresponding Gibbs weights. We focus on observables relevant for transport theories…
We study conductance cumulants $<< g^n >>$ and current cumulants $C_j$ related to heat and electrical transport in coherent mesoscopic quantum wires near the diffusive regime. We consider the asymptotic behavior in the limit where the…
Many-electron wavepacket dynamics based on time-dependent configuration interaction (TDCI) is a numerically rigorous approach to quantitatively model electron-transfer across molecular junctions. TDCI simulations of cyanobenzene…
The experimental value for the zero bias conductance of organic molecules coupled by thiol-groups to gold electrodes tends to be much smaller than the theoretical result based on density functional theory (DFT) calculations, often by orders…
We simulate the dynamics of a quantum dot coupled to the single resonating mode of a metal nano-particle. Systems like this are known as metamolecules. In this study, we consider a time-dependent driving field acting onto the metamolecule.…
With this work we investigate the stationary nonequilibrium density matrix of current carrying nonequilibrium steady states of in-between quantum systems that are connected to reservoirs. We describe the analytical procedure to obtain the…
We present a time-dependent study of electron transport through a strongly correlated quantum dot. The time-dependent current is obtained with the multiple-probe battery method, while adiabatic lattice density functional theory in the Bethe…
Digital quantum computers have the potential to study the dynamics of complex quantum systems. Nonequilibrium open quantum systems are, however, less straightforward to be implemented. Here we consider a collisional model representation of…
We employ the time-dependent non-crossing approximation to investigate the joint effect of strong electron-electron and electron-phonon interaction on the instantaneous conductance of a single molecule transistor which is abruply moved into…
The effect of vibrational motion on resonant charge transport through single molecule junctions is investigated. The study is based on a combination of first-principles electronic structure calculations to characterize the system and…
The electronic transport of a noninteracting quantum ring side-coupled to a quantum wire is studied via a single-band tunneling tight-binding Hamiltonian. We found that the system develops an oscillating band with antiresonances and…
Using Kubo's linear response theory, we derive expressions for the frequency-dependent electrical conductivity (Kubo-Greenwood formula), thermopower, and thermal conductivity in a strongly correlated electron system. These are evaluated…
We describe a first-principles method for calculating electronic structure, vibrational modes and frequencies, electron-phonon couplings, and inelastic electron transport properties of an atomic-scale device bridging two metallic contacts…
We calculate non-perturbatively the inelastic effects on the conductance through a conjugated molecular wire-metal heterojunction, including realistic electron-phonon coupling. We show that at sub-band-gap energies the current is dominated…
We analyze the problem of directed quantum transport induced by external exponentially correlated telegraphic noise. In addition to quantum nature of the heat bath, nonlinearity of the periodic system potential brings in quantum…
We investigate the nonequilibrium transport properties of a three-terminal quantum dot in the strongly interacting limit. At low temperatures, a Kondo resonance arises from the antiferromagnetic coupling between the localized electron in…
Understanding and controlling heat transport in molecular junctions would provide new routes to design nanoscale coupled electronic and phononic devices. Using first principles full quantum calculations, we tune thermal conductance of a…
We theoretically analyze correlation effects on the transport properties of a benzene molecule that are mediated by interactions between the motion of the nuclei and the transmitted charge. We focus on the lowest-lying molecular vibrational…
This dissertation focuses on the calculation of transport coefficients in the matter created in a relativistic heavy-ion collision after the chemical freeze-out. This matter can be well approximated by a pion gas out of equilibrium. We…