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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)…

The National Science Foundation has identified a new thrust area in Quantum, Molecular and High Performance Modeling and Simulation for Devices and Systems (QMHP) in its core program. The main purpose of this thrust area is to capture…

The road map to the FCC Feasibility Study Report, for submission to the next Update of the European Strategy for Particle Physics, will require detailed simulation and advanced reconstruction algorithms to explore and maximise the physics…

HEP-Frame is a new C++ package designed to efficiently perform analyses of data sets from a very large number of events, like those available at the Large Hadron Collider (LHC) at CERN, Geneva. It mainly targets high performance servers and…

Cloud simulation environments today are largely employed to model and simulate complex systems for remote accessibility and variable capacity requirements. In this regard, scalability issues in Modeling and Simulation (M\&S) computational…

The embedded systems engineering industry faces increasing demands for more functionality, rapidly evolving components, and shrinking schedules. Abilities to quickly adapt to changes, develop products with safe design, minimize project…

Electromagnetic simulations form an indispensable part of the design and optimization process for superconducting quantum devices. Although several commercial platforms exist, open-source alternatives optimized for high-performance…

StocHy is a software tool for the quantitative analysis of discrete-time stochastic hybrid systems (SHS). StocHy accepts a high-level description of stochastic models and constructs an equivalent SHS model. The tool allows to (i) simulate…

Concurrently coupled numerical simulations using heterogeneous solvers are powerful tools for modeling multiscale phenomena. However, major modifications to existing codes are often required to enable such simulations, posing significant…

In this paper, we propose a software tool, called AMYTISS, implemented in C++/OpenCL, for designing correct-by-construction controllers for large-scale discrete-time stochastic systems. This tool is employed to (i) build finite Markov…

Quantum computing is advancing rapidly in hardware and algorithms, but broad accessibility demands a comprehensive, efficient, unified software stack. Such a stack must flexibly span diverse hardware and evolving algorithms, expose usable…

This dissertation focuses on the development process of scientific software. It presents a methodology that has emerged over time during development of Monte Carlo tools for high energy physics experiments. A short description of the…

To address the growing needs for scalable High Performance Computing (HPC) and Quantum Computing (QC) integration, we present our HPC-QC full stack framework and its hybrid workload development capability with modular…

The Framework is one of the subprojects of the Joint COntrols Project (JCOP), which is collaboration between the four LHC experiments and CERN. By sharing development, this will reduce the overall effort required to build and maintain the…

Many scientific-software projects test their codes inadequately, or not at all. Despite its well-known benefits, adopting routine testing is often not easy. Development teams may have doubts about establishing effective test procedures,…

In this paper we describe HeSP, a complete simulation framework to study a general task scheduling-partitioning problem on heterogeneous architectures, which treats recursive task partitioning and scheduling decisions on equal footing.…

The design of structural & functional materials for specialized applications is being fueled by rapid advancements in materials synthesis, characterization, manufacturing, with sophisticated computational materials modeling frameworks that…

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…

High-Level Synthesis (HLS) is emerging as a mainstream design methodology, allowing software designers to enjoy the benefits of a hardware implementation. Significant work has led to effective compilers that produce high-quality hardware…

MiMiC is a framework for performing multiscale simulations in which loosely coupled external programs describe individual subsystems at different resolutions and levels of theory. To make it highly efficient and flexible, we adopt an…