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The non-equilibrium Green's function (NEGF) approach offers a practical framework for simulating various phenomena in mesoscopic systems. As the dimension of electronic devices shrinks to just a few nanometers, the need for new…
The electrons in graphene for energies close to the Dirac point have been found to form strongly interacting fluid. Taking this fact into account we have extended previous work on the transport properties of graphene by taking into account…
This article presents numerical investigations on accuracy and convergence properties of several numerical approaches for simulating steady state flows in heterogeneous aquifers. Finite difference, finite element, discontinuous Galerkin,…
As the characteristic lengths of advanced electronic devices are approaching the atomic scale, ab initio simulation method, with fully consideration of quantum mechanical effects, becomes essential to study the quantum transport phenomenon…
I present a compact physics-based model of the drain current, charge and capacitance of graphene field-effect transistors, of relevance for exploration of DC, AC and transient behavior of graphene based circuits. The physical framework is a…
Surface sensitive electric current measurements are important experimental tools poorly corroborated by theoretical models. We show that the drift-diffusion equations offer a framework for a consistent description of such experiments. The…
The current flow in phosphorene pnp junctions is studied. At the interfaces of the junction, omni-directional total reflection takes place, named anti-super-Klein tunneling, as this effect is not due to an energetically forbidden region but…
Using non-equilibrium Green's functions, we derive a formula for the electron current through a lead-molecule-lead nanojunction where the interactions are not restricted to the central region, but are spread throughout the system, including…
We study the time-dependent neutralization of a slow highly charged ion that penetrates a hexagonal hollow-centred graphene nanoflake. To compute the ultrafast charge transfer dynamics, we apply an effective Hubbard nanocluster model and…
An emerging trend in deep learning research focuses on the applications of graph neural networks (GNNs) for mesh-based continuum mechanics simulations. Most of these learning frameworks operate on graphs wherein each edge connects two…
On the basis of the Keldysh method of non-equilibrium systems, we develop a theory of electron tunneling in normal-metal/superconductor junctions. By using the tunneling Hamiltonian model (being appropriate for the tight-binding systems),…
We study the dynamics of the electron current in nanodevices where there are time-varying components and interactions. These devices are a nanojunction attached to heat baths and with dynamical electron-phonon interactions and a…
We have recently proposed a Nonequilibrium Green's Function (NEGF) approach to include Auger decay processes in the ultrafast charge dynamics of photoionized molecules. Within the so called Generalized Kadanoff-Baym Ansatz the fundamental…
Semiconductor-superconductor hybrid systems provide a promising platform for hosting unpaired Majorana fermions towards the realisation of fault-tolerant topological quantum computing. In this study, we employ the Keldysh Non-Equilibrium…
We present a quantum kinetic approach for the time-resolved description of many-body effects in photoionization processes in atoms. The method is based on the non-equilibrium Green functions formalism and solves the Keldysh/Kadanoff-Baym…
By considering the direction of charge carriers and the conservation of probablity current the transmission properties of graphene Zener tunnelling nano-devices were obtained. The scattering properties were then used with an adaptation of…
In this paper we dwell over the study of the boundary layer problem in a hydrodynamical description of the electrons in gated graphene. It has been verified experimentally that this fluid can display non-Poiseuille like flow as reproduced…
Generic interacting many-body quantum systems are believed to behave as classical fluids on long time and length scales. Due to rapid progress in growing exceptionally pure crystals, we are now able to experimentally observe this collective…
In this work, we propose an efficient computational scheme for first-principle quantum transport simulations to evaluate the open-boundary conditions. Its partitioning differentiates from conventional methods in that the contact self-energy…
Nonequilibrium electronic transport through a molecular level weakly coupled to a single coherent phonon/vibration mode has been studied for superconducting leads. The Keldysh Green function formalism is used to compute the current for the…