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Large Language Models (LLMs), deep learning architectures with typically over 10 billion parameters, have recently begun to be integrated into various cyber-physical systems (CPS) such as robotics, industrial automation, and autopilot…
CHEMSMART (Chemistry Simulation and Modeling Automation Toolkit) is an open-source, Python-based framework designed to streamline quantum chemistry workflows for homogeneous catalysis and molecular modeling. By integrating job preparation,…
We introduce a high-performance simulation framework that permits the semi-independent, task-based solution of sets of partial differential equations, typically manifesting as updates to a collection of `patches' in space-time. A hybrid…
This article presents a model of general-purpose computing on a semantic network substrate. The concepts presented are applicable to any semantic network representation. However, due to the standards and technological infrastructure devoted…
The development of advanced software tools for power system analysis requires extensive programming expertise. Even when using open-source tools, programming skills are essential to modify built-in models. This can be particularly…
A large semantic gap between the high-level synthesis (HLS) design and the low-level (on-board or RTL) simulation environment often creates a barrier for those who are not FPGA experts. Moreover, such low-level simulation takes a long time…
${\tt simwave}$ is an open-source Python package to perform wave simulations in 2D or 3D domains. It solves the constant and variable density acoustic wave equation with the finite difference method and has support for domain truncation…
It is shown how to set up, conduct, and analyze large simulation studies with the new R package simsalapar = simulations simplified and launched parallel. A simulation study typically starts with determining a collection of input variables…
Nowadays there is a large availability of discrete event simulation software that can be easily used in different domains: from industry to supply chain, from healthcare to business management, from training to complex systems design.…
We present an open-source Julia-based software toolkit for solving the phase problem using dual-space iterative algorithms. The toolkit is specifically designed for aperiodic crystals and quasicrystals, supporting general space group…
In this work, we detail the GPU-porting of an in-house pseudo-spectral solver tailored towards large-scale simulations of interface-resolved simulation of drop- and bubble-laden turbulent flows. The code relies on direct numerical…
Program slicing is a technique for simplifying programs by focusing on selected aspects of their behaviour. Current mainstream static slicing methods operate on the PDG (program dependence graph) or SDG (system dependence graph), but these…
Harnessing modern parallel computing resources to achieve complex multi-physics simulations is a daunting task. The Multiphysics Object Oriented Simulation Environment (MOOSE) aims to enable such development by providing simplified…
High-Performance Computing (HPC) platforms enable scientific software to achieve breakthroughs in many research fields such as physics, biology, and chemistry, by employing Research Software Engineering (RSE) techniques. These include 1)…
Parallelization is needed everywhere, from laptops and mobile phones to supercomputers. Among parallel programming models, task-based programming has demonstrated a powerful potential and is widely used in high-performance scientific…
FPGAs have found their way into data centers as accelerator cards, making reconfigurable computing more accessible for high-performance applications. At the same time, new high-level synthesis compilers like Xilinx Vitis and runtime…
With the rise of software-as-a-service and microservice architectures, RESTful APIs are now ubiquitous in mobile and web applications. A service can have tens or hundreds of API methods, making it a challenge for programmers to find the…
The phase field model can accurately simulate the evolution of microstructures with complex morphologies, and it has been widely used for cell modeling in the last two decades. However, compared to other cellular models such as the…
Many interesting phenomena are characterized by the complex interaction of different physical processes, each often best modeled numerically via a specific approach. In this paper, we present the design and implementation of an…
Computer algebra systems play an important role in science as they facilitate the development of new theoretical models. The resulting symbolic equations are often implemented in a compiled programming language in order to provide fast and…