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Efficient implementations of the classical molecular dynamics (MD) method for Lennard-Jones particle systems are considered. Not only general algorithms but also techniques that are efficient for some specific CPU architectures are also…
Real-time trajectory optimization for nonlinear constrained autonomous systems is critical and typically performed by CPU-based sequential solvers. Specifically, reliance on global sparse linear algebra or the serial nature of dynamic…
This work presents a data-driven magnetostatic finite-element solver that is specifically well-suited to cope with strongly nonlinear material responses. The data-driven computing framework is essentially a multiobjective optimization…
We propose and implement a third-order accurate numerical scheme for the Landau-Lifshitz-Gilbert equation, which describes magnetization dynamics in ferromagnetic materials under large damping parameters. This method offers two key…
Multiscale and inhomogeneous molecular systems are challenging topics in the field of molecular simulation. In particular, modeling biological systems in the context of multiscale simulations and exploring material properties are driving a…
We present a full-vector finite element method (FEM) mode solver for dielectric waveguides based on a mixed Nedelec-Lagrange discretization of Maxwell's curl equations in the frequency domain. The formulation combines edge elements for…
We present MuMax, a general-purpose micromagnetic simulation tool running on Graphical Processing Units (GPUs). MuMax is designed for high performance computations and specifically targets large simulations. In that case speedups of over a…
With the advent of PW class lasers, the very large laser intensities attainable on-target should enable the production of intense high order Doppler harmonics from relativistic laser-plasma mirrors interactions. At present, the modeling of…
This paper proposes a general formulation for temporal parallelisation of dynamic programming for optimal control problems. We derive the elements and associative operators to be able to use parallel scans to solve these problems with…
We present a solver of 3D two-fluid plasma model for the simulation of short-pulse laser interactions with plasma. This solver resolves the equations of the two-fluid plasma model with ideal gas closure. We also include the…
A high-performance parallel algorithm is proposed for modeling the propagation of acoustic and elastic waves in inhomogeneous media. An initial boundary-value problem is replaced by a series of boundary-value problems for a constant…
In this paper, we consider the problem of accelerating the numerical simulation of time dependent problems by time domain decomposition. The available algorithms enabling such decompositions present severe efficiency limitations and are an…
We introduce CuPyMag, an open-source, Python-based framework for large-scale micromagnetic simulations with magnetostriction. CuPyMag solves micromagnetics with finite elements in a GPU-resident workflow in which key operations, such as…
In the quest to realize analog signal processing using sub-wavelength metasurfaces, in this paper, we demonstrate the first experimental demonstration of programmable time-modulated metasurface processors based on the key properties of…
Numerical discretization of the large-scale Maxwell's equations leads to an ill-conditioned linear system that is challenging to solve. The key requirement for successive solutions of this linear system is to choose an efficient solver. In…
We introduce an extended discontinuous Galerkin discretization of hyperbolic-parabolic problems on multidimensional semi-infinite domains. Building on previous work on the one-dimensional case, we split the strip-shaped computational domain…
The paper investigates a non-intrusive parallel time integration with multigrid for space-fractional diffusion equations in two spatial dimensions. We firstly obtain a fully discrete scheme via using the linear finite element method to…
This paper combines the use of high order finite element methods with parallel preconditioners of domain decomposition type for solving electromagnetic problems arising from brain microwave imaging. The numerical algorithms involved in such…
We have developed molecular dynamics codes for a short-range interaction potential that adopt both the flat-MPI and MPI/OpenMP hybrid parallelizations on the basis of a full domain decomposition strategy. Benchmark simulations involving up…
A second order accurate numerical scheme is proposed and implemented for the Landau-Lifshitz-Gilbert equation, which models magnetization dynamics in ferromagnetic materials, with large damping parameters. The main advantages of this method…