Related papers: Generalized FDTD Scheme for Moving Electromagnetic…
Field emission coupled with molecular dynamics simulation (FEcMD) software package is a computational tool for studying atomic structure evolution, structural deformation, phase transitions, recrystallization as well as electron emission…
Generalized Hydrodynamics (GHD) has recently been devised as a method to solve the dynamics of integrable quantum many-body systems beyond the mean-field approximation. In its original form, a major limitation is the inability to predict…
Surface integral equation (SIE) methods are of great interest for the numerical solution of Maxwell's equations in the presence of homogeneous objects. However, existing SIE algorithms have limitations, either in terms of scalability,…
A Finite-Difference Time-Domain (FDTD) scheme with Perfectly Matched Layers (PMLs) is considered for solving the time-dependent Schr\"{o}dinger equation, and simulate the ionization of an electron initially bound to a one-dimensional…
Time-dependent density-functional theory (TDDFT) is a central tool for studying the dynamical electronic structure of molecules and solids, yet aspects of its mathematical foundations remain insufficiently understood. In this work, we…
A class of nonstandard pseudospectral time domain (PSTD) schemes for solving time-dependent hyperbolic and parabolic partial differential equations (PDEs) is introduced. These schemes use the Fourier collocation spectral method to compute…
The computational efficiency of many neural operators, widely used for learning solutions of PDEs, relies on the fast Fourier transform (FFT) for performing spectral computations. As the FFT is limited to equispaced (rectangular) grids,…
This paper presents a novel methodology for fast simulation and analysis of transient heat transfer. The proposed methodology is suitable for real-time applications owing to (i) establishing the solution method from the viewpoint of…
The impact of leading collective electronic fluctuations on a free energy of a prototype 1D model for molecular systems is considered within the recently developed Fluctuating Local Field (FLF) approach. The FLF method is a non-perturbative…
Subensemble Acceptance Method (SAM) [1,2] is an essential link between measured event-by-event fluctuations and their grand canonical theoretical predictions such as lattice QCD. The method allows quantifying the global conservation law…
We develop a generalized gradient expansion of the inhomogeneous dynamical mean-field theory method for determining properties of ultracold atoms in a trap. This approach goes beyond the well-known local density approximation and at higher…
Time-dependent density functional theory (TDDFT) is a standard approach for calculating optical excitations of molecules and solids, while ensemble DFT (EDFT) is a promising alternative under development. We introduce ensemble TDDFT…
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…
The increasing complexity and scale of photonic and electromagnetic devices demand efficient and accurate numerical solvers. In this work, we develop a parallel overlapping domain decomposition method (DDM) based on the finite-difference…
This technical note describes the physical model, numerical implementation, and validation of multilevel atomic media for lasers and saturable absorbers in Meep: a free/open-source finite-difference time-domain (FDTD) software package for…
One of the most efficient ways to produce unconditional simulations is with the spectral method using fast Fourier transform (FFT) [1]. But this approach is not applicable to arbitrary surfaces because no regular grid exists. However,…
We present a new explicit local space-time adaptive framework to decrease the time required for monodomain simulations for cardiac electrophysiology. Based on the localized structure of the steep activation wavefront in solutions to…
The Reynolds-Averaged Navier-Stokes equations and the Large-Eddy Simulation equations can be coupled using a transition function to switch from a set of equations applied in some areas of a domain to the other set in the other part of the…
In this work, we derive a multi-fragment real-time extension of projected density matrix embedding theory (pDMET) designed to treat non-equilibrium electron dynamics in strongly correlated systems. As in the previously developed static…
Ray tracing algorithms, that can simulate multipath radio propagation in presence of geometric obstacles such as buildings, objects or vehicles, are becoming quite popular, due to the increasing availability of digital environment databases…