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Realizing large-scale quantum advantage is expected to require quantum error correction (QEC), making the compilation and optimization of logical operations a critical area of research. Logical computation imposes distinct constraints and…

Computer simulations have become a very powerful tool for scientific research. Given the vast complexity that comes with many open scientific questions, a purely analytical or experimental approach is often not viable. For example,…

Differences between computer simulation of dynamical systems and laboratory experiments are common in teaching and research in engineering. Normally, numerical inaccuracy and the non-ideal behaviour of the devices involved in the experiment…

Computer simulations have become a very powerful tool for scientific research. In order to facilitate research in computational biology, the BioDynaMo project aims at a general platform for biological computer simulations, which should be…

Hybrid systems with both discrete and continuous dynamics are an important model for real-world cyber-physical systems. The key challenge is to ensure their correct functioning w.r.t. safety requirements. Promising techniques to ensure…

We advocate in this paper the use of grid-based infrastructures that are designed for seamless approaches to the numerical expert users, i.e., the multiphysics applications designers. It relies on sophisticated computing environments based…

The UK Critical National Infrastructure is critically dependent on digital technologies that provide communications, monitoring, control, and decision-support functionalities. Digital technologies are progressively enhancing efficiency,…

PYSCF is a Python-based general-purpose electronic structure platform that both supports first-principles simulations of molecules and solids, as well as accelerates the development of new methodology and complex computational workflows.…

Recent advancements in large language models, including GPT-4 and its variants, and Generative AI-assisted coding tools like GitHub Copilot, ChatGPT, and Tabnine, have significantly transformed software development. This paper analyzes how…

The primary use of technical computing in the oil and gas industries is for seismic imaging of the earth's subsurface, driven by the business need for making well-informed drilling decisions during petroleum exploration and production.…

Structural modeling is a fundamental component of computational engineering science, in which even minor physical inconsistencies or specification violations may invalidate downstream simulations. The potential of large language models…

Cloud computing recently developed into a viable alternative to on-premises systems for executing high-performance computing (HPC) applications. With the emergence of new vendors and hardware options, there is now a growing need to…

To support rapid AI advances and broaden access to large-scale computing resources for under-resourced institutions at the Mid-South, we established the first regional mid-scale GPU cluster at the University of Memphis (UofM), iTiger. We…

Computer experiments are often performed to allow modeling of a response surface of a physical experiment that can be too costly or difficult to run except using a simulator. Running the experiment over a dense grid can be prohibitively…

To reduce the carbon footprint of computing and stabilize electricity grids, there is an increasing focus on approaches that align the power usage of IT infrastructure with the availability of clean energy. Unfortunately, research on…

This study assesses the capability of ChatGPT to generate finite element code for geotechnical engineering applications from a set of prompts. We tested three different initial boundary value problems using a hydro-mechanically coupled…

Multi working-machines pathfinding solution enables more mobile machines simultaneously to work inside of a working site so that the productivity can be expected to increase evolutionary. To date, the potential cooperation conflicts among…

High-performance scientific applications require more and more compute power. The concurrent use of multiple distributed compute resources is vital for making scientific progress. The resulting distributed system, a so-called Jungle…

Testing is one of the most important steps in software development. It ensures the quality of software. Continuous Integration (CI) is a widely used testing system that can report software quality to the developer in a timely manner during…

Providing a comprehensive view of the city operation and offering useful metrics for decision making is a well known challenge for urban risk analysis systems. Existing systems are, in many cases, generalizations of previous domain specific…