Related papers: Efficient quantum transport simulation for bulk gr…
We discuss the steady-state electronic transport in solid-state and molecular devices in the quantum regime. The decimation technique allows a comprehensive description of the electronic structure. Such a method is used, in conjunction with…
In view of its local character, the semiclassical or Boltzmann theory is intrinsically unable to describe transport phenomena on ultrashort space and time scales, and to this purpose genuine quantum-transport approaches are imperative. By…
At present, many laboratories are performing experiments to simulate theoretical models of strongly correlated systems using cold atoms in optical lattices, a program referred to as "Quantum Simulation". It is hoped that these experiments…
Since its first isolation in 2004, graphene has been found to host a plethora of unusual electronic transport phenomena, making it a fascinating system for fundamental studies in condensed-matter physics as well as offering tremendous…
We consider electronic transport through a single-molecule junction where the molecule has a degenerate spectrum. Unlike previous transport models, and theories a rate-equations description is no longer possible, and the quantum coherences…
The high computational cost of ab-initio methods limits their application in predicting electronic properties at the device scale. Therefore, an efficient method is needed to map the atomic structure to the electronic structure quickly.…
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…
Coherent transport of an excitation through a network corresponds to continuous-time quantum walk on a graph, and the transport properties of the system may be radically different depending on the graph and on the initial state. The…
Due to their unique electrical properties, graphene nanoribbons (GNRs) show great promise as the building blocks of novel electronic devices. However, these properties are strongly dependent on the geometry of the edges of the graphene…
The calculations of electronic transport coefficients and optical properties require a very dense interpolation of the electronic band structure in reciprocal space that is computationally expensive and may have issues with band crossing…
The recognition that large classes of quantum many-body systems have limited entanglement in the ground and low-lying excited states led to dramatic advances in their numerical simulation via so-called tensor networks. However, global…
The success of all-graphene electronics is severely hindered by the challenging realization and subsequent integration of semiconducting channels and metallic contacts. Here, we comprehensively investigate the electronic transport across…
In this paper we present generic properties of quantum transport in mono-layer graphene. In the scheme of the Kubo-Geenwood formula, we compute the square spreading of wave packets of a given energy with is directly related to conductivity.…
We present a nonperturbative and formally exact approach for the charge transport in interacting nanojunctions based on a real time path integral formulation of the reduced system dynamics. An expansion of the influence functional in terms…
We formulate the problem of efficient transport of a quantum particle trapped in a harmonic potential which can move with a bounded velocity, as a minimum-time problem on a linear system with bounded input. We completely solve the…
Local curvature, or bending, of a graphene sheet is known to increase the chemical reactivity presenting an opportunity for templated chemical functionalization. Using first principles calculations based on density functional theory (DFT)…
We present a time-linear scaling method to simulate open and correlated quantum systems out of equilibrium. The method inherits from many-body perturbation theory the possibility to choose selectively the most relevant scattering processes…
High fidelity quantum information transport is necessary for most practical models of quantum computation. By analogy with optical wave guides, a spatio-temporally varying magnetic potential on a one dimensional spin chain can achieve high…
We explore the near-term intersection of quantum computing with the transport sector. To support near-term integration, we introduce a framework for assessing the suitability of transport optimization problems for obtaining potential…
Employing tight-binding approximation we derive a transfer matrix formalism for one-dimensional single photon transport through a composite scattering center, which consists of parallel connected resonator optical waveguides. By solving the…