Related papers: Petascale computations for Large-scale Atomic and …
Prior to the parallel solution of a large linear system, it is required to perform a partitioning of its equations/unknowns. Standard partitioning algorithms are designed using the considerations of the efficiency of the parallel…
With tens of petaflops supercomputers already in operation and exaflops machines expected to appear within the next 10 years, efficient parallel computational methods are required to take advantage of such extreme-scale machines. In this…
This study addresses the challenge of simulating realistic particle systems by proposing a novel particle decomposition scheme that improves the parallel performance of surface resolved particle simulations. Realistic particle systems often…
The Accurate Particle Tracer (APT) code is designed for large-scale particle simulations on dynamical systems. Based on a large variety of advanced geometric algorithms, APT possesses long-term numerical accuracy and stability, which are…
When the planar circular restricted 3-body problem (PCRTBP) is periodically perturbed, as occurs in many useful astrodynamics models, most unstable periodic orbits persist as whiskered tori. Intersections between stable and unstable…
Despite rapid progress in the development of quantum algorithms in quantum computing as well as numerical simulation methods in classical computing for atomic and molecular applications, no systematic and comprehensive electronic structure…
Quantum computing (QC) has the potential to revolutionise the future of scientific simulations. To harness the capabilities that QC offers, we can integrate it into hybrid quantum-classical simulations, which can boost the capabilities of…
Evaluating the (dis)similarity of crystalline, disordered and molecular compounds is a critical step in the development of algorithms to navigate automatically the configuration space of complex materials. For instance, a structural…
Charged particle reconstruction or track reconstruction is one of the most crucial components of pattern recognition in high-energy collider physics. It is known to entail enormous consumption of computing resources, especially when the…
Inspired by the picture portraying the KNO scaling violation as an extension of the geometrical scaling violation, the current study proposes a phenomenological model for multi-particle production in hadron collisions based on the…
The effect of autoionizing resonances in atomic systems and processes is reviewed. Theoretical framework for treating resonances in the coupled channel approximation using the R-matrix method, as well as approximations related to plasma…
A finite element method is presented to compute time harmonic microwave fields in three dimensional configurations. Nodal-based finite elements have been coupled with an absorbing boundary condition to solve open boundary problems. This…
Particle accelerator modeling is an important field of research and development, essential to investigating, designing and operating some of the most complex scientific devices ever built. Kinetic simulations of relativistic, charged…
Absorption and emission spectra of multicharged-ion plasmas contain a huge number of electron configurations and electric-dipolar lines, which can be handled by global methods. However, some transition arrays consist only of a small bunch…
Heterogeneous systems are becoming more common on High Performance Computing (HPC) systems. Even using tools like CUDA and OpenCL it is a non-trivial task to obtain optimal performance on the GPU. Approaches to simplifying this task include…
Current monolithic quantum computer architectures have limited scalability. One promising approach for scaling them up is to use a modular or multi-core architecture, in which different quantum processors (cores) are connected via quantum…
Using detailed simulations of calorimeter showers as training data, we investigate the use of deep learning algorithms for the simulation and reconstruction of particles produced in high-energy physics collisions. We train neural networks…
Quasiparticle random-phase approximation (QRPA) is applied to two nuclei, and overlap of the QRPA excited states based on the different nuclei is calculated. The aim is to calculate the overlap of intermediate nuclear states of the…
Whereas collisions between atoms and molecules are largely understood, collisions between two molecules have proven much harder to study. In both experiment and theory, our ability to determine quantum state-resolved bimolecular cross…
This paper presents our work on developing parallel computational methods for two-phase flow on modern parallel computers, where techniques for linear solvers and nonlinear methods are studied and the standard and inexact Newton methods are…