Related papers: Recursive Green's functions optimized for atomisti…
We apply the Quasi Monte Carlo (QMC) and recursive numerical integration methods to evaluate the Euclidean, discretized time path-integral for the quantum mechanical anharmonic oscillator and a topological quantum mechanical rotor model.…
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…
Electronic transport is theoretically investigated in laterally confined semiconductor superlattices using the formalism of non-equilibrium Green's functions. The transport properties are calculated for nanowire superlattices of varying…
Analytic continuation is a critical step in quantum many-body computations, connecting imaginary-time or Matsubara Green's functions with real-frequency spectral functions, which can be directly compared to experimental results. However,…
Atomistic quantum transport simulation of realistically large devices is computationally very demanding. The widely used mode space (MS) approach can significantly reduce the numerical cost but good MS basis is usually very hard to obtain…
A lattice Boltzmann method (LBM) with enhanced stability and accuracy is presented for various Hermite tensor-based lattice structures. The collision operator relies on a regularization step, which is here improved through a recursive…
A scalable tight-binding model is applied for large-scale quantum transport calculations in clean graphene subject to electrostatic superlattice potentials, including two types of graphene superlattices: moir\'e patterns due to the stacking…
In this paper, we build on the work of [T. Hughes, G. Sangalli, VARIATIONAL MULTISCALE ANALYSIS: THE FINE-SCALE GREENS' FUNCTION, PROJECTION, OPTIMIZATION, LOCALIZATION, AND STABILIZED METHODS, SIAM Journal of Numerical Analysis, 45(2),…
Moir\'e superlattices constitute a versatile platform to investigate emergent phenomena arising from the interplay of strong correlations and topology, while offering flexible in situ tunability. However, the fabrication of such moir\'e…
Previous work in the literature has studied gravitational radiation in black-hole collisions at the speed of light. In particular, it had been proved that the perturbative field equations may all be reduced to equations in only two…
We report a linear-scaling random Green's function (rGF) method for large-scale electronic structure calculation. In this method, the rGF is defined on a set of random states to stochastically express the density matrix, and rGF is…
By merging bottom-up and top-down strategies we tailor graphene's electronic properties within nanometer accuracy, which opens up the possibility to design optical and plasmonic circuitries at will. In a first step, graphene electronic…
Lattice Green functions appear in lattice gauge theories, in lattice models of statistical physics and in random walks. Here, space coordinates are treated as parameters and series expansions in the mass are obtained. The singular points in…
Memristors as emergent nano-electronic devices have been successfully fabricated and used in non-conventional and neuromorphic computing systems in the last years. Several behavioral or physical based models have been developed to explain…
The Green's function plays a crucial role when studying the nature of quantum many-body systems, especially strongly-correlated systems. Although the development of quantum computers in the near future may enable us to compute energy…
We do parametric calculations to elucidate multi-terminal electron transport properties through a molecular system where a single phenalenyl molecule is attached to semi-infinite one-dimensional metallic leads. A formalism based on the…
The development of inverse design, where computational optimization techniques are used to design devices based on certain specifications, has led to the discovery of many compact, non-intuitive structures with superior performance. Among…
The recursion and path-integral methods are applied to analytically study the electronic structure of a neutral $C_{60}$ molecule. We employ a tight-binding Hamiltonian which considers both the $s$ and $p$ valence electrons of carbon. From…
An explicit second-order numerical method to integrate the isokinetic equations of motion is derived by fitting circular arcs through every three consecutive points of the discretized trajectory, so that the tangent and the curvature…
Quantum computers, using efficient Hamiltonian evolution routines, have the potential to simulate Green's functions of classically-intractable quantum systems. However, the decoherence errors of near-term quantum processors prohibit large…