Computational Physics
Due to the wide separation of time scales in geophysical fluid dynamics, semi-implicit time integrators are commonly used in operational atmospheric forecast models. They guarantee the stable treatment of fast (acoustic and gravity) waves,…
The advent of ultra short high intensity lasers has paved the way to new and promising, yet challenging, areas of research in the laser-plasma interaction physics. The success of constructing petawatt femtosecond lasers, for instance the…
In this paper, a compact high-order gas-kinetic scheme (GKS) with spectral resolution will be presented and used in the simulation of acoustic and shock waves. For accurate simulation, the numerical scheme is required to have excellent…
As a multi-purpose Particle-In-Cell (PIC) code, Smilei gathers many different features in a single software. Combining some of them is challenging. In particular, spectral solvers and patch based load balancing have a priori non compatible…
The boundary element method (BEM) enables the efficient electromagnetic modelling of lossy conductors with a surface-based discretization. Existing BEM techniques for conductor modelling require either expensive dual basis functions or the…
In this study, the Schrodinger equation for the Woods-Saxon potential, the general Woods-Saxon potential, and D-dimensional Woods-Saxon potential is numerically investigated.
In many applications, it is important to reconstruct a fluid flow field, or some other high-dimensional state, from limited measurements and limited data. In this work, we propose a shallow neural network-based learning methodology for such…
In order to prevent velocity, pressure, and temperature spikes at material discontinuities occurring when the interface-capturing schemes inconsistently simulate compressible multi-material flows(when the specific heats ratio is…
Molecular dynamics simulations use statistical mechanics at the atomistic scale to enable both the elucidation of fundamental mechanisms and the engineering of matter for desired tasks. The behavior of molecular systems at the microscale is…
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…
An efficient computational approach for optimal reconstructing parameters of binary-type physical properties for models in biomedical applications is developed and validated. The methodology includes gradient-based multiscale optimization…
We present a framework to solve non-linear eigenvalue problems suitable for a Finite Element discretization. The implementation is based on the open-source finite element software GetDP and the open-source library SLEPc. As template…
We report on the design, verification and performance of mumax3, an open-source GPU-accelerated micromagnetic simulation program. This software solves the time- and space dependent magnetization evolution in nano- to micro scale magnets…
We develop an efficient parallel multiscale method that bridges the atomistic and mesoscale regimes, from nanometer to micron and beyond, via concurrent coupling of atomistic simulation and mesoscopic dynamics. In particular, we combine an…
Exact numerical simulations of dynamics of open quantum systems often require immense computational resources. We demonstrate that a deep artificial neural network comprised of convolutional layers is a powerful tool for predicting…
The advent of computing resources with co-processors, for example Graphics Processing Units (GPU) or Field-Programmable Gate Arrays (FPGA), for use cases like the CMS High-Level Trigger (HLT) or data processing at leadership-class…
Phase field methods have been widely used to study phase transitions and polarization switching in ferroelectric thin films. In this paper, we develop an efficient numerical scheme for the variational phase field model based on variational…
3D-Polarized Light Imaging (3D-PLI) is a neuroimaging technique used to study the structural connectivity of the human brain at the meso- and microscale. In 3D-PLI, the complex nerve fiber architecture of the brain is characterized by 3D…
In particle-in-cell simulations and some other statistical computations, the representation of modelled distributions with tracked macro-particles can become locally excessive. Merging or resampling dense clusters or highly-populated phase…
A top-level designed forecasting system for predicting computational times of density-functional theory (DFT)/time-dependent density-functional theory (TDDFT) calculations is presented. The computational time is assumed as the intrinsic…