Related papers: Three-Dimensional Wave Packet Approach for the Qua…
The quantum motions of hydrogen (H) atoms play an important role in the dynamical properties and functionalities of condensed phase materials as well as biological systems. In this work, based on the transfer matrix method and…
We use the Dirac continuum model to study the propagation of electronic wave packets in graphene with periodically arranged circular potential steps. The time propagation of the wave packets are calculated using the split-operator method…
Molecular dynamics simulation is utilized to investigate the ionic transport of NaCl in solution through a graphene nanopore under an applied electric field. Results show the formation of concentration polarization layers in the vicinity of…
A duality between the properties of many spinor bosons on a regular lattice and those of a single particle on a weighted graph reveals that a quantum particle can traverse an infinite hierarchy of networks with perfect probability in…
The list of textbook tunneling formulas is extended by deriving exact expressions for the transmission coefficient in graphene ribbons with armchair edges and the step-like and barrier-like profiles of site energies along the ribbon. These…
Context. The magnetic field in the solar atmosphere continually reconnects and accelerates charged particles to high energies. Simulations of the atmosphere in three dimensions that include the effects of accelerated particles can aid our…
The new method for the simulation of nonstationary quantum processes is proposed. The method is based on the tomography representation of quantum mechanics, {\it i.e.}, the state of the system is described by the {\it nonnegative} function…
Isolated, atomically thin conducting membranes of graphite, called graphene, have recently been the subject of intense research with the hope that practical applications in fields ranging from electronics to energy science will emerge.…
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 put forth a hitherto unexplored control strategy that enables high-fidelity fast transport of an unstable quantum wavepacket even in the presence of bath-induced dissipation. The wavepacket, which is confined within any shallow…
It is commonly believed that it is unfavourable for adsorbed H atoms on carbonaceous surfaces to form H$_2$ without the help of incident H atoms. Using ring-polymer instanton theory to describe multidimensional tunnelling effects, combined…
In this study, we provide a novel wave packet propagation method that generalizes the Hagedorn approach by introducing alternative primitive basis sets that are better suited to describe different physical processes. More precisely, in our…
Physics of graphene and physics of superfluid phases of 3He have many common features. Both systems are topological materials where quasiparticles behave as relativistic massless (Weyl, Majorana or Dirac) fermions. We formulate the points…
This study deals with the understanding of hydrogen atom scattering from graphene, a process critical for exploring C-H bond formation and energy transfer during the atom surface collision. In our previous work (J.Chem.Phys \textbf{159},…
The transfer-matrix method is a standard approach to wave propagation in stratified media. With the advent of cold-atom-based quantum and photonic technologies, several experiments and many proposals consider light propagation in…
Fundamental understanding of ionic transport at the nanoscale is essential for developing biosensors based on nanopore technology and new generation high-performance nanofiltration membranes for separation and purification applications. We…
Simulation of Electron Transport through two dimensional(2D) waveguide using Quantum Transport Boundary Method (QTBM) is done. Specifically, as an example the results of modeling L-shaped contact for a rectangular waveguide are presented.…
Bottom-up on-surface synthesized nanoporous graphenes (NPGs), realized as 2D arrays of laterally covalently bonded $\pi$-conjugated graphene nanoribbons (GNRs), are a family of carbon nanomaterials that are receiving increasing attention…
The motion of atoms in programmable optical tweezer arrays offers many new opportunities for neutral atom quantum science. These include inter- and intra-site atom motion for resource-efficient implementations of fermionic and bosonic…
We present a model of electron transport through a random distribution of interacting quantum dots embedded in a dielectric matrix to simulate realistic devices. The method underlying the model depends only on fundamental parameters of the…