Related papers: Ubermag: Towards more effective micromagnetic work…
The emergence of "big data" offers unprecedented opportunities for not only accelerating scientific advances but also enabling new modes of discovery. Scientific progress in many disciplines is increasingly enabled by our ability to examine…
Computational models are an essential tool for the design, characterization, and discovery of novel materials. Hard computational tasks in materials science stretch the limits of existing high-performance supercomputing centers, consuming…
Air components, including UAVs, planes, balloons, and satellites have been widely utilized since the fixed capacity of ground infrastructure cannot meet the dynamic load of the users. However, since those air components should be…
Developers in data science and other domains frequently use computational notebooks to create exploratory analyses and prototype models. However, they often struggle to incorporate existing software engineering tooling into these…
The connect-fill-run workflow paradigm, widely adopted in mature software engineering, accelerates collaborative development. However, computational chemistry, computational materials science, and computational biology face persistent…
Running scientific workflows on a supercomputer can be a daunting task for a scientific domain specialist. Workflow management solutions (WMS) are a standard method for reducing the complexity of application deployment on high performance…
Artificial neural networks and computational neuroscience models have made tremendous progress, allowing computers to achieve impressive results in artificial intelligence (AI) applications, such as image recognition, natural language…
Modern science clearly demands for a higher level of reproducibility and collaboration. To make research fully reproducible one has to take care of several aspects: research protocol description, data access, environment preservation,…
Today's quantum computers are primarily accessible through the cloud and potentially shifting to the edge network in the future. With the rapid advancement and proliferation of quantum computing research worldwide, there has been a…
In the era of data-driven science, conducting computational experiments that involve analysing large datasets using heterogeneous computational clusters, is part of the everyday routine for many scientists. Moreover, to ensure the…
Large-scale electrification is vital to addressing the climate crisis, but several scientific and technological challenges remain to fully electrify both the chemical industry and transportation. In both of these areas, new electrochemical…
A growing interest in Immersive Analytics (IA) has led to the extension of computational notebooks (e.g., Jupyter Notebook) into an immersive environment to enhance analytical workflows. However, existing solutions rely on the WIMP…
Neuromorphic computing takes inspiration from the brain to create energy efficient hardware for information processing, capable of highly sophisticated tasks. In this article, we make the case that building this new hardware necessitates…
Nowadays, micromagnetic simulations are a common tool for studying a wide range of different magnetic phenomena, including the ferromagnetic resonance. A technique for evaluating reliability and validity of different micromagnetic…
MicroMagnetic.jl is an open-source Julia package for micromagnetic and atomistic simulations. Using the features of the Julia programming language, MicroMagnetic.jl supports CPU and various GPU platforms, including NVIDIA, AMD, Intel, and…
The promise of quantum computing lies in harnessing programmable quantum devices for practical applications such as efficient simulation of quantum materials and condensed matter systems. One important task is the simulation of…
Supported nanoparticle catalysts are widely used in the chemical industry. Computational modeling of supported nanoparticles based on density functional theory (DFT) often involves structural searches of stable local minimum energy…
Quantum computing promises to revolutionize several scientific and technological domains through fundamentally new ways of processing information. Among its most compelling applications is digital quantum simulation, where quantum computers…
To enhance the undergraduate and graduate engineering education for nanoscale materials, devices and systems, we report a multi-disciplinary course based on the integration of theory, hands-on laboratory and hands-on computation into a…
Advances in user interfaces, pattern recognition, and ubiquitous computing continue to pave the way for better navigation towards our health goals. Quantitative methods which can guide us towards our personal health goals will help us…