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Classical Density Functional Theory (DFT) is a statistical-mechanical framework to analyze fluids, which accounts for nanoscale fluid inhomogeneities and non-local intermolecular interactions. DFT can be applied to a wide range of…
The general approach in metasurface design is to find the unit-cell properties required to achieve a given functionality. This is usually done by modeling the metasurface as a combination of surface electric and magnetic polarization…
This paper details a class of metal-based space-time metasurfaces for application in wireless communications scenarios. Concretely, we describe space-time metasurfaces that periodically alternate their properties in time between three…
Accurate ab initio modelling of surfaces and interfaces, especially under an applied external potential bias, is important for describing and characterizing various phenomena that occur in electronic, catalytic, and energy storage devices.…
This paper proposes a radial dependent dispersive finite-difference time-domain method for the modelling of electromagnetic cloaking structures. The permittivity and permeability of the cloak are mapped to the Drude dispersion model and…
The Finite-Difference Time-Domain (FDTD) method is a well-known technique for the analysis of quantum devices. It solves a discretized Schrodinger equation in an explicitly iterative process. However, the method requires the spatial grid…
Although many 3D One-Way Wave-equation Migration (OWEM) methods exist for VTI media, most of them struggle either with the stability, the anisotropic noise or the computational cost. In this paper we present a new method based on a mixed…
In this paper, we first propose an unconditionally stable implicit difference scheme for solving generalized time-space fractional diffusion equations (GTSFDEs) with variable coefficients. The numerical scheme utilizes the $L1$-type formula…
This article shows the interfacial relation in electrodynamics shall be corrected in discrete grid form which can be seen as certain numerical dispersion beyond the usual bulk type. Furthermore we construct a lossy conductor model to…
Simulation of 3D low-frequency electromagnetic fields propagating in the Earth is computationally expensive. We present a fictitious wave domain high-order finite-difference time-domain (FDTD) modelling method on nonuniform grids to compute…
An FFT framework which preserves a good numerical performance in the case of domains with large regions of empty space is proposed and analyzed for its application to lattice based materials. Two spectral solvers specially suited to resolve…
Efficient hybrid plasmonic-photonic metasurfaces that simultaneously take advantage of the potential of both pure metallic and all-dielectric nanoantennas are identified as an emerging technology in flat optics. Nevertheless,…
Addressing complex meteorological processes at a fine spatial resolution requires substantial computational resources. To accelerate meteorological simulations, researchers have utilized neural networks to downscale meteorological variables…
Fresnel reflection has been known for centuries to fundamentally impede efficient transmittance across planar interfaces, especially at grazing incidence. Herein, we present the generalized Huygens' condition (GHC) to resolve such…
Discrete dislocation dynamics (DDD) is a widely employed computational method to study plasticity at the mesoscale that connects the motion of dislocation lines to the macroscopic response of crystalline materials. However, the…
An integral equation-based approach for the design of dual band stacked metasurfaces which are invariant in one-dimension is presented. The stacked metasurface will generate collimated beams at desired angles in each band upon reflection.…
Metasurfaces are ultrathin structures which are constituted by an array of subwavelength scatterers with designable scattering responses. They have opened up unprecedented exciting opportunities for extraordinary wave engineering processes.…
Improving both accuracy and computational performance of numerical tools is a major challenge for seismic imaging and generally requires specialized implementations to make full use of modern parallel architectures. We present a…
By partitioning the electron density into subsystem contributions, the Frozen Density Embedding (FDE) formulation of subsystem DFT has recently emerged as a powerful tool for reducing the computational scaling of Kohn--Sham DFT. To date,…
The goal of this study is to introduce a unified computational framework for simulating random iteration equations (RIE), understood as iteration equations containing random variables. The novelty of this work is that full probability…