Related papers: The Astrophysical Multipurpose Software Environmen…
Parallel computing has turned out to be the enabling technology to solve complex physical systems. However, the transition from shared memory, vector computers to massively parallel, distributed memory systems and, recently, to hybrid…
ArchNEMESIS is an open-source Python package developed for the analysis of remote sensing spectroscopic observations of planetary atmospheres. It is based on the widely used NEMESIS radiative transfer and retrieval tool, which has been…
Today's astronomical projects need computational systems capable to store and analyze large amounts of scientific data, to effectively share data with other research Institutes and to easily implement information services to present data…
Progress in several areas of computer science has been enabled by comfortable and efficient means of experimentation, clear interfaces, and interchangable components, for example using OpenCV for computer vision or ROS for robotics. We…
ASTRA is a Python package that provides a modular, instrument-independent interface for working with high-resolution stellar spectra. Designed to support data from multiple spectrographs, including ESPRESSO (Pepe et al., 2021), HARPS (Mayor…
A key aspect in the determination of stellar properties is the comparison of observational constraints with predictions from stellar models. Asteroseismic Inference on a Massive Scale (AIMS) is an open source code that uses Bayesian…
Multiphysics phenomena, the coupling effects involving different aspects of physics laws, are pervasive in the real world and can often be encountered when performing everyday household tasks. Intelligent agents which seek to assist or…
Simulations of galaxy formation follow the gravitational and hydrodynamical interactions between gas, stars and dark matter through cosmic time. The huge dynamic range of such calculations severely limits strong scaling behaviour of the…
The integration (interoperability) of highly disparate systems is an open topic of research in many domains. A common approach for getting two highly disparate systems to be interoperable, is through an agreed-upon protocol (e.g., via…
In current electronic structure research endeavors such as warm dense matter or machine learning applications, efficient development necessitates non-monolithic software, providing an extendable and flexible interface. The open-source idea…
We present a polarizable embedding quantum mechanics/molecular mechanics (QM/MM) framework for ground- and excited-state Complete Active Space Self-Consistent Field (CASSCF) calculations on molecules within complex environments, such as…
Computational astrophysics routinely combines grid-adaptive capabilities with modern shock-capturing, high resolution spatio-temporal schemes on multi-dimensional hydro- and magnetohydrodynamics. We provide an update on developments within…
Among the present generation of multiphysics HPC simulation codes there are many that are built upon general infrastructural frameworks. This is especially true of the codes that make use of structured adaptive mesh refinement (SAMR)…
The Multiphase Astrophysics to Unveil the Virgo Environment (MAUVE) project is a multi-facility programme exploring how dense environments transform galaxies. Combining a VLT/MUSE P110 Large Programme and ALMA observations of 40 late-type…
The Active Matter Evaluation Package (AMEP) is a Python library for analyzing simulation data of particle-based and continuum simulations. It provides a powerful and simple interface for handling large data sets and for calculating and…
ScopeSim is a flexible multipurpose instrument data simulation framework built in Python. It enables both raw and reduced observation data to be simulated for a wide range of telescopes and instruments quickly and efficiently on a personal…
The Agent Based Model community has a rich and diverse ecosystem of libraries, platforms, and applications to help modelers develop rigorous simulations. Despite this robust and diverse ecosystem, the complexity of life from microbial…
Influenced by the advances in data and computing, the scientific practice increasingly involves machine learning and artificial intelligence driven methods which requires specialized capabilities at the system-, science- and service-level…
In this paper, we discuss the need for an integrated software stack that unites artificial intelligence (AI) and modeling and simulation (ModSim) tools to advance scientific discovery. The authors advocate for a unified AI/ModSim software…
We present MPWide, a platform independent communication library for performing message passing between computers. Our library allows coupling of several local MPI applications through a long distance network and is specifically optimized…