Related papers: Electronic transport coefficients from ab initio s…
A first-principles approach to describe electron dynamics in open quantum systems driven far from equilibrium via external time-dependent stimuli is introduced. Within this approach, the driven Liouville von Neumann methodology is used to…
We present a new framework for computing low frequency transport properties of strongly correlated, ergodic systems. Our main assumption is that, when a thermalizing diffusive system is driven at frequency $\omega$, domains of size $\xi…
We have explored the multi-component structure of electrical conductivity of relativistic Fermionic and Bosonic fluid in presence of magnetic field by using Kubo approach. This is done by explicitly evaluating the thermo-magnetic vector…
We put forward a gauge-invariant theoretical framework for studying time-resolved thermoelectric transport in an arbitrary multiterminal electronic quantum system described by a non-interacting tight-binding model. The system is driven out…
Using Brownian dynamics simulations, we investigate the effects of confinement, adsorption on surfaces and ion-ion interactions on the response of confined electrolyte solutions to oscillating electric fields in the direction perpendicular…
We present an ab initio study of the structural and electronic transport properties of tetrahedrite, Cu$_{12}$Sb$_4$S$_{13}$, in its high-temperature phase. We show how this complex compound can be seen as the outcome of an ordered…
In the current density functional theory of linear and nonlinear time-dependent phenomena, the treatment of exchange and correlation beyond the level of the adiabatic local density approximation is shown to lead to the appearance of…
Hydrodynamic transport coefficients may be evaluated from first principles in a weakly coupled scalar field theory at arbitrary temperature. In a theory with cubic and quartic interactions, the infinite class of diagrams which contribute to…
Motivated by the recently observed failure of the kinetic theory for the bulk viscosity, we in turn revisit the shear viscosity and the thermal conductivity of two-component fermions with a zero-range interaction both in two and three…
The thermoelectric properties of strongly correlated quantum dots, described by a single level Anderson model coupled to conduction electron leads, is investigated using Wilson's numerical renormalization group method. We calculate the…
We investigate optical transitions of non-interacting electron systems consisting of two symmetric energy bands touching each other at the Fermi energy (e.g. graphene at half filling). Optical conductivity is obtained using Kubo formula at…
We consider energy (heat) transport in quantum systems, and establish a relationship between energy spread and energy current-current correlation function. The energy current-current correlation is related to thermal conductivity by the…
We derive a master equation for the electron transport through molecular wires in the limit of strong Coulomb repulsion. This approach is applied to two typical situations: First, we study transport through an open conduction channel for…
We propose an efficient approach for simultaneous prediction of thermal and electronic transport properties in complex materials. Firstly, a highly efficient machine-learned neuroevolution potential is trained using reference data from…
Transport through small interacting systems connected to noninteracting leads is studied based on the Kubo formalism using a Eliashberg theory of the analytic properties of the vertex part. The transmission probability, by which the…
The vast amount of computational studies on electrical conduction in solid-state electrolytes is not mirrored by comparable efforts addressing thermal conduction, which has been scarcely investigated despite its relevance to thermal…
Transport coefficients serve as important probes in characterizing the QCD matter created in high-energy heavy-ion collisions. Thermal and electrical conductivities as transport coefficients have got special significance in studying the…
Thermoelectric transport coefficients are determined for semiconductor quantum wires with weak thickness fluctuations. Such systems exhibit anomalies in conductance near 1/4 and 3/4 of 2e^2/h on the rising edge to the first conductance…
We consider a class of two-dimensional tight binding models displaying conical intersections of the Bloch bands at the Fermi level. The setting includes the case of generic transitions between quantum Hall phases. We consider the…
We present dynamical transport calculations based on a tight-binding approximation to adiabatic time-dependent density functional theory (TD-DFTB). The reduced device density matrix is propagated through the Liouville-von Neumann equation.…