Computational Physics
Conventional (CP) and Fourier (FP) ptychography have emerged as versatile quantitative phase imaging techniques. While the main application cases for each technique are different, namely lens-less short wavelength imaging for CP and…
Direct experimental characterization of indentation-induced martensitic microstructures in pseudoelastic shape memory alloys (SMAs) is not possible, and thus there is a lack of evidence and understanding regarding the microstructure pattern…
In this study we explore the optimization of laser pulse duration to obtain the shortest possible pulse. We do this by employing a feedback loop between a pulse shaper and pulse duration measurements. We apply to this problem several…
In chaotic dynamical systems such as the weather, prediction errors grow faster in some situations than in others. Real-time knowledge about the error growth could enable strategies to adjust the modelling and forecasting infrastructure…
We present a practical cell-centred volume-of-fluid method developed within a pure Eulerian setting for the simulation of compressible solid-fluid problems. The method builds on a previously published diffuse-interface Godunov-type scheme…
UKRmol-scripts is a set of Perl scripts to automatically run the UKRmol+ codes, a complex software suite based on the R-matrix method to calculate fixed-nuclei photoionization and electron- and positron-scattering for polyatomic molecules.…
A novel smooth immersed boundary method (IBM) based on a direct-forcing formulation is proposed to simulate incompressible dense particle-laden flows. This IBM relies on a regularization of the transfer function between the Eulerian grid…
In this paper, a high order quasi-conservative discontinuous Galerkin (DG) method using the non-oscillatory kinetic flux is proposed for the 5-equation model of compressible multi-component flows with Mie-Gr\"uneisen equation of state. The…
This work brings the leading accuracy, sample efficiency, and robustness of deep equivariant neural networks to the extreme computational scale. This is achieved through a combination of innovative model architecture, massive…
We propose a quantum Monte Carlo approach to solve the ground state many-body Schrodinger equation for the electronic ground state. The method combines optimization from variational Monte Carlo and propagation from auxiliary field quantum…
A hybrid Eulerian-Lagrangian method is proposed to simulate passive scalar transport on arbitrary shape interface. In this method, interface deformation is tracked by an Eulerian method while the transport of the passive scalar on the…
We introduce a new high-performance design for parallelism within the Quantum Monte Carlo code QMCPACK. We demonstrate that the new design is better able to exploit the hierarchical parallelism of heterogeneous architectures compared to the…
An iterative algorithm is adopted to construct approximate representations of matrices describing the scattering properties of arbitrary objects. The method is based on the implicit evaluation of scattering responses from iteratively…
Physics-informed neural networks (PiNNs) recently emerged as a powerful solver for a large class of partial differential equations under various initial and boundary conditions. In this paper, we propose trapz-PiNNs, physics-informed neural…
Physics informed neural networks (PINNs) are nowadays used as efficient machine learning methods for solving differential equations. However, vanilla-PINNs fail to learn complex problems as ones involving stiff ordinary differential…
Simulations carried out with COMSOL software in order to study the electrical resistivity of rectangular samples are reported. The comparison of the results with the four-probe method allows to understand the meaning of the geometric factor…
The Large Hadron Collider (LHC) at CERN houses two general purpose detectors - ATLAS and CMS - which conduct physics programs over multi-year runs to generate increasingly precise and extensive datasets. The efforts of the CMS and ATLAS…
We present the algorithms for three popular methods: F-expansion, modified F-expansion, and first integral methods to automatically get closed-form traveling-wave solutions of nonlinear partial differential equations (NLPDEs). We generalize…
A previously developed quantum reduced-order model is revised and applied, together with the domain decomposition, to develop the quantum element method (QEM), a methodology for fast and accurate simulation of quantum eigenvalue problems.…
Single molecule X-ray scattering experiments with free electron lasers have opened a new route to the structure determination of biomolecules. Because typically only very few photons per scattering image are recorded and thus the…