Related papers: Simulating Maxwell-Schr\"odinger Equations by High…
We present a time-dependent variational approach with the multiple Davydov $D_2$ trial state to simulate the dynamics of light-matter systems when the field is in a coherent state with an arbitrary finite mean photon number. The variational…
In this paper we present a customized finite-difference-time-domain (FDTD) Maxwell solver for the particle-in-cell (PIC) algorithm. The solver is customized to effectively eliminate the numerical Cerenkov instability (NCI) which arises when…
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…
In this paper we motivate, formulate and analyze the Multi-Configuration Time-Dependent Hartree-Fock (MCTDHF) equations for molecular systems under Coulomb interaction. They consist in approximating the N-particle Schrodinger wavefunction…
Symplectic integration methods based on operator splitting are well established in many branches of science. For Hamiltonian systems which split in more than two parts, symplectic methods of higher order have been studied in detail only for…
Metasurfaces, consisting of large arrays of interacting subwavelength scatterers, pose significant challenges for general-purpose computational methods due to their large electric dimensions and multiscale nature. This paper introduces an…
We extend the publicly available quantumfdtd code. It was originally intended for solving the time-independent three-dimensional Schr\"odinger equation via the finite-difference time-domain (FDTD) method and for extracting the ground,…
In contact mechanics computation, the constraint conditions on the contact surfaces are typically enforced by the Lagrange multiplier method, resulting in a saddle point system. The mortar finite element method is usually employed to…
A semi-implicit finite difference time domain (FDTD) numerical Maxwell solver is developed for full electromagnetic Particle-in-Cell (PIC) codes for the simulations of plasma-based acceleration. The solver projects the volumetric Yee…
The stability and convergence analysis of high-order numerical approximations for the one- and two-dimensional nonlocal wave equations on unbounded spatial domains are considered. We first use the quadrature-based finite difference schemes…
This work is on the numerical approximation of incoming solutions to Maxwell's equations with dissipative boundary conditions whose energy decays exponentially with time. Such solutions are called asymptotically disappearing (ADS) and they…
Absorbing boundary conditions in the form of a complex absorbing potential are routinely introduced in the Schr\"odinger equation to limit the computational domain or to study reactive scattering events using the multi-configurational…
A wide range of implicit time integration methods, including multi-step, implicit Runge-Kutta, and Galerkin finite-time element schemes, is evaluated in the context of chaotic dynamical systems. The schemes are applied to solve the Lorenz…
We present high-order, finite element-based Second Moment Methods (SMMs) for solving radiation transport problems in two spatial dimensions. We leverage the close connection between the Variable Eddington Factor (VEF) method and SMM to…
We derive novel algorithms for optimization problems constrained by partial differential equations describing multiscale particle dynamics, including non-local integral terms representing interactions between particles. In particular, we…
Miniaturized optical resonators with spatial dimensions of the order of the wavelength of the trapped light offer prospects for a variety of new applications like quantum processing or construction of meta-materials. Light propagation in…
Formulated is a new systematic method for obtaining higher order corrections in numerical simulation of stochastic differential equations (SDEs), i.e., Langevin equations. Random walk step algorithms within a given order of finite $\Delta…
The Hartree-Fock problem was recently recast as a semidefinite optimization over the space of rank-constrained two-body reduced-density matrices (RDMs) [Phys. Rev. A 89, 010502(R) (2014)]. This formulation of the problem transfers the…
Many natural dynamic processes -- such as in vivo cellular differentiation or disease progression -- can only be observed through the lens of static sample snapshots. While challenging, reconstructing their temporal evolution to decipher…
A high order, deterministic direct numerical method is proposed for the nonrelativistic $2D_{\bf x} \times 3D_{\bf v}$ Vlasov-Maxwell system, coupled with Fokker-Planck-Landau type operators. Such a system is devoted to the modelling of…