Related papers: GPView: a program for wave function analysis and v…
We introduce PyMGal, a Python package for generating optical mock observations of galaxies from hydrodynamical simulations. PyMGal reads the properties of stellar particles from these simulations and generates spectral energy distributions…
In this article we report the release of a new program for calculating the emissivity of atomic transitions. The program, which can be obtained with its documentation from our website www.scienceware.net, passed various rigorous tests and…
Background The Gravitational wave high-energy Electromagnetic Counterpart All-sky Monitor (GECAM) is primarily designed to spot gamma-ray bursts corresponding to gravitational waves. In order to achieve stable observations from various…
Context. As the importance of Gravitational Wave (GW) Astrophysics increases rapidly, astronomers in different fields and with different backgrounds can have the need to get a quick idea of which GW source populations can be detected by…
In High Energy Physics experiments Particle Flow (PFlow) algorithms are designed to provide an optimal reconstruction of the nature and kinematic properties of the particles produced within the detector acceptance during collisions. At the…
We present an implementation of localized atomic orbital basis sets in the projector augmented wave (PAW) formalism within the density functional theory (DFT). The implementation in the real-space GPAW code provides a complementary basis…
ORBKIT is a toolbox for post-processing electronic structure calculations based on a highly modular and portable Python architecture. The program allows computing a multitude of electronic properties of molecular systems on arbitrary…
We report a novel application of graphics processing units (GPUs) for the purpose of accelerating the search pipelines for gravitational waves from coalescing binaries of compact objects. A speed-up of 16 fold has been achieved compared…
The IDIA Visualisation Laboratory based at the University of Cape Town is exploring the use of virtual reality technology to visualise and analyse astronomical data. The iDaVIE software suite currently under development reads from both…
Mayavi is an open-source, general-purpose, 3D scientific visualization package. It seeks to provide easy and interactive tools for data visualization that fit with the scientific user's workflow. For this purpose, Mayavi provides several…
This paper presents SPLASH, a publicly available interactive visualisation tool for Smoothed Particle Hydrodynamics (SPH) simulations. Visualisation of SPH data is more complicated than for grid-based codes because the data is defined on a…
A recent development, called isogeometric analysis, provides a unified approach for design, analysis and optimization of functional products in industry. Traditional volume rendering methods for inspecting the results from the numerical…
Biomolecule Visualization with Ellipsoidal Coarse-graining (BioVEC) is a tool for visualizing molecular dynamics simulation data while allowing coarse-grained residues to be rendered as ellipsoids. BioVEC reads in configuration files, which…
CP2K is an open source electronic structure and molecular dynamics software package to perform atomistic simulations of solid-state, liquid, molecular and biological systems. It is especially aimed at massively-parallel and linear-scaling…
Virtual Observatories (VOs) are online hubs of scientific knowledge. They encompass a collection of platforms dedicated to the storage and dissemination of astronomical data, from simple data archives to e-research platforms offering…
Recent research in materials science opens exciting perspectives to design novel quantum materials and devices, but it calls for quantitative predictions of properties which are not accessible in standard first principles packages. PAOFLOW…
The article describes the CFD software tool FlowVision (OOO "Tesis", Moscow). The model equations used for this research are the set of Reynolds and continuity equations and equations of the standard k - e turbulence model. The aim of the…
A visualization scheme for quantum many-body wavefunctions is described, which we have termed qubism. Its main property is its recursivity: increasing the number of qubits reflects in an increase in the image resolution. Thus, the plots are…
The detection of gravitational waves from binary black hole and neutron star mergers by ground-based interferometers, as well as the evidence for a gravitational wave background from pulsar timing array experiments, has marked a new era in…
A new web-server called The Molecule Calculator (MolCalc) is presented. The entry page is a molecular editor (JSmol) for interactive molecule building. The resulting structure can then be used to estimate molecular properties such as heats…