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Field experiments are often difficult and expensive to make. To bypass these issues, industrial companies have developed computational codes. These codes intend to be representative of the physical system, but come with a certain amount of…
Cloud computing provides a great opportunity for scientists, as it enables large-scale experiments that cannot are too long to run on local desktop machines. Cloud-based computations can be highly parallel, long running and data-intensive,…
With the relentless rise of computer power, there is a widespread expectation that computers can solve the most pressing problems of science, and even more besides. We explore the limits of computational modelling and conclude that, in the…
Recent increases in supercomputing power, driven by the multi-core revolution and accelerators such as the IBM Cell processor, graphics processing units (GPUs) and Intel's Many Integrated Core (MIC) technology have enabled kinetic…
Quantum computing offers significant speedups for simulating physical, chemical, and biological systems, and for optimization and machine learning. As quantum software grows in complexity, the classical simulation of quantum computers,…
Excellent computer simulations are done for a purpose. The most valid purposes are to explore uncharted territory, to resolve a well-posed scientific or technical question, or to make a design choice. Stand-alone modeling can serve the…
The increase of existing computational capabilities has made simulation emerge as a third discipline of Science, lying midway between experimental and purely theoretical branches [1, 2]. Simulation enables the evaluation of quantities which…
Quantum computation has made considerable progress in the last decade with multiple emerging technologies providing proof-of-principle experimental demonstrations of such calculations. However, these experimental demonstrations of quantum…
Several philosophical issues in connection with computer simulations rely on the assumption that results of simulations are trustworthy. Examples of these include the debate on the experimental role of computer simulations \cite{Parker2009,…
Modern computing is shifting from homogeneous CPU-centric systems to heterogeneous systems with closely integrated CPUs and GPUs. While the CPU software stack has benefited from decades of memory safety hardening, the GPU software stack…
Recently Quantum Computation has generated a lot of interest due to the discovery of a quantum algorithm which can factor large numbers in polynomial time. The usefulness of a quantum com puter is limited by the effect of errors. Simulation…
Developing software to undertake complex, compute-intensive scientific processes requires a challenging combination of both specialist domain knowledge and software development skills to convert this knowledge into efficient code. As…
Scientific computation is a discipline that combines numerical analysis, physical understanding, algorithm development, and structured programming. Several yottacycles per year on the world's largest computers are spent simulating problems…
Background: The rise of Large Language Models (LLMs) in software development has opened new possibilities for code generation. Despite the widespread use of this technology, it remains unclear how well LLMs generate code solutions in terms…
Large, complex, multi-scale, multi-physics simulation codes, running on high performance com-puting (HPC) platforms, have become essential to advancing science and engineering. These codes simulate multi-scale, multi-physics phenomena with…
Many fields of science rely on software systems to answer different research questions. For valid results researchers need to trust the results scientific software produces, and consequently quality assurance is of utmost importance. In…
Maintaining leadership in HPC requires the ability to support simulations at large scales and fidelity. In this study, we detail one of the most significant productivity challenges in achieving this goal, namely the increasing proclivity to…
Computational science relies on scientific software as its primary instrument for scientific discovery. Therefore, similar to the use of other types of scientific instruments, correct software and the correct operation of the software is…
The ever increasing demands placed upon machine performance have resulted in the need for more comprehensive particle accelerator modeling. Computer simulations are key to the success of particle accelerators. Many aspects of particle…
Recent research has demonstrated that quantum computers can solve certain types of problems substantially faster than the known classical algorithms. These problems include factoring integers and certain physics simulations. Practical…