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First-principles calculations of charged defects have become a cornerstone of research in semiconductors and insulators by providing insights into their fundamental physical properties. But current standard approach using the so-called…
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Realistic prediction of the superconducting transition temperature (Tc) for PdH is a long-standing challenge, because it depends on robust calculations of the electron and phonon band structures to obtain the electron-phonon scattering…
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In practical applications of machine learning, it is necessary to look beyond standard metrics such as test accuracy in order to validate various qualitative properties of a model. Partial dependence plots (PDP), including instance-specific…
Photoplasticity, the light-induced change in plastic deformation, plays a pivotal role in the mechanical durability and manufacturing of semiconductor materials. Yet, its governing mechanisms remain incompletely understood, owing to the…
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Intelligence is key to advancing integrated circuit (IC) fabrication. Recent breakthroughs in Large Multimodal Models (LMMs) have unlocked extraditionary abilities in understanding images and text, fostering intelligent fabrication.…
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With the advancements in 3D printing technologies, it is extremely important that the quality of 3D printed objects, and dimensional accuracies should meet the customer's specifications. Various factors during metal printing affect the…
We present pySecDec, a new version of the program SecDec, which performs the factorisation of dimensionally regulated poles in parametric integrals, and the subsequent numerical evaluation of the finite coefficients. The algebraic part of…
Python is a popular programming language known for its ease of learning and extensive libraries. However, concerns about performance and energy consumption have led to the development of compilers to enhance Python code efficiency. Despite…
Electronic structure calculations based on density-functional theory (DFT) represent a significant part of today's HPC workloads and pose high demands on high-performance computing resources. To perform these quantum-mechanical DFT…
Nowdays, modern microscopic approaches for fission are generally based on the framework of nuclear density functional theory (DFT), which has enabled a self-consistent treatment of both static and dynamic aspects of fission. The key issue…
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