Related papers: Generalized FDTD Scheme for Moving Electromagnetic…
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…
The finite-difference time-domain (FDTD) method is a well established method for solving the time evolution of Maxwell's equations. Unfortunately the scheme introduces numerical dispersion and therefore phase and group velocities which…
Calculations of electronic and optical properties of solids at finite temperature including electron-phonon interactions and quantum zero-point renormalization have enjoyed considerable progress during the past few years. Among the emerging…
Surface integral equation (SIE) methods are of great interest for the efficient electromagnetic modeling of various devices, from integrated circuits to antenna arrays. Existing acceleration algorithms for SIEs, such as the adaptive…
A general near-field thermal electromagnetic transport formalism that is independent of the size, shape and number of heat sources is derived. The formalism is based on fluctuational electrodynamics, where fluctuating currents due to…
We present an extension of the PatchworkMHD code [1], itself an MHD-capable extension of the Patchwork code [2], for which several algorithms presented here were co-developed. Its purpose is to create a multipatch scheme compatible with…
The existence of a generalized fluctuation-dissipation theorem observed in simulations and experiments performed in various glassy materials is related to the concepts of local equilibration and heterogeneity in space. Assuming the…
Learning the underlying dynamics from data with deep neural networks has shown remarkable potential in modeling various complex physical dynamics. However, current approaches are constrained in their ability to make reliable predictions in…
This paper reviews the state of the art of periodic boundary conditions (PBCs) in Finite-Difference Time-Domain (FDTD) simulations. The mathematical principles and 3D FDTD implementation details are systematically outlined. Techniques for…
The paper examines local approximation errors of finite difference schemes in electromagnetic analysis. Despite a long history of the subject, several accuracy-related issues have been overlooked and/or remain controversial. For example,…
An adpative integration technique for time advancement of particle motion in the context of coupled computational fluid dynamics (CFD) - discrete element method (DEM) simulations is presented in this work. CFD-DEM models provide an accurate…
This paper presents a fundamental algorithm, called VDB-EDT, for Euclidean distance transform (EDT) based on the VDB data structure. The algorithm executes on grid maps and generates the corresponding distance field for recording distance…
Efficient molecular dynamics (MD) simulation is vital for understanding atomic-scale processes in materials science and biophysics. Traditional density functional theory (DFT) methods are computationally expensive, which limits the…
Cross-domain shifts present a significant challenge for decision transformer (DT) policies. Existing cross-domain policy adaptation methods typically rely on a single simple filtering criterion to select source trajectory fragments and…
We propose a first-principles time-dependent density functional theoretical (TDDFT) approach in momentum (P) space for quantitative study of electron transport in molecular devices under arbitrary biases. In this approach, the basic…
In this work, a Generalized Finite Difference (GFD) scheme is presented for effectively computing the numerical solution of a parabolic-elliptic system modelling a bacterial strain with density-suppressed motility. The GFD method is a…
Motivated by a range of biological applications related to the transport of molecules in cells, we present a modular framework to treat first-passage problems for diffusion in partitioned spaces. The spatial domains can differ with respect…
The finite difference time domain (FDTD) algorithm and Green function algorithm are implemented into the numerical simulation of electromagnetic scattering by ordinary objects in Schwarzschild space-time. FDTD method in curved space-time is…
A summation-by-parts simultaneous approximation term (SBP-SAT) finite-difference time-domain (FDTD) subgridding method is proposed to model geometrically fine structures in this paper. Compared with our previous work, the proposed SBP-SAT…
We present an accurate, efficient and massively parallel finite-element code, DFT-FE, for large-scale ab-initio calculations (reaching $\sim 100,000$ electrons) using Kohn-Sham density functional theory (DFT). DFT-FE is based on a local…