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The computational cost of traditional first-principles method quickly becomes prohibitively expensive as the number of atoms increases. This challenge is further amplified by the need to evaluate finite-temperature properties with Monte…

Materials Science · Physics 2025-08-13 Xianglin Liu , Kai Yang , Yongxiang Liu , Fanli Zhou , Dengdong Fan , Zongrui Pei , Pengxiang Xu , Yonghong Tian

Neural networks (NNs) are increasingly used in always-on safety-critical applications deployed on hardware accelerators (NN-HAs) employing various memory technologies. Reliable continuous operation of NN is essential for safety-critical…

Machine Learning · Computer Science 2024-01-04 Soyed Tuhin Ahmed , Mehdi B. tahoori

Implementations of artificial neural networks (ANNs) might lead to failures, which are hardly predicted in the design phase since ANNs are highly parallel and their parameters are barely interpretable. Here, we develop and evaluate a novel…

Logic in Computer Science · Computer Science 2020-12-22 Luiz Sena , Erickson Alves , Iury Bessa , Eddie Filho , Lucas Cordeiro

In recent years, numerical simulations have become indispensable for addressing complex astrophysical problems. The MagnetoHydroDynamics (MHD) framework represents a key tool for investigating the dynamical evolution of astrophysical…

Instrumentation and Methods for Astrophysics · Physics 2025-09-18 Giancarlo Mattia , Daniele Crocco , David Melon Fuksman , Matteo Bugli , Vittoria Berta , Eleonora Puzzoni , Andrea Mignone , Bhargav Vaidya

The force field by Lenosky and coworkers is the latest force field for silicon which is one of the most studied materials. It has turned out to be highly accurate in a large range of test cases. The optimization and parallelization of this…

Condensed Matter · Physics 2015-06-24 Stefan Goedecker

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…

The next generation of electron-positron colliders will require unprecedented precision in both theory and experiment. Sophisticated software frameworks are essential to evaluate detector concepts, optimize designs, and simulating physical…

High Energy Physics - Phenomenology · Physics 2025-09-25 Alan Price , Dirk Zerwas

We present nbodykit, an open-source, massively parallel Python toolkit for analyzing large-scale structure (LSS) data. Using Python bindings of the Message Passing Interface (MPI), we provide parallel implementations of many commonly used…

Instrumentation and Methods for Astrophysics · Physics 2018-10-31 Nick Hand , Yu Feng , Florian Beutler , Yin Li , Chirag Modi , Uros Seljak , Zachary Slepian

The neutron-induced fission cross sections were simultaneously evaluated for the JENDL-5 library for $^{233,235}$U and $^{239,241}$Pu from 10 keV to 200 MeV and for $^{238}$U and $^{240}$Pu from 100 keV to 200 MeV. Evaluation was performed…

Nuclear Experiment · Physics 2023-08-09 Naohiko Otuka , Osamu Iwamoto

TensorCircuit is an open source quantum circuit simulator based on tensor network contraction, designed for speed, flexibility and code efficiency. Written purely in Python, and built on top of industry-standard machine learning frameworks,…

HMCF "Hamiltonian Monte Carlo for Fields" is a software add-on for the NIFTy "Numerical Information Field Theory" framework implementing Hamiltonian Monte Carlo (HMC) sampling in Python. HMCF as well as NIFTy are designed to address…

Data Analysis, Statistics and Probability · Physics 2018-12-04 Christoph Lienhard , Torsten A. Enßlin

Reactor antineutrino experiment are used to study neutrino oscillation, search for signatures of nonstandard neutrino interaction, and monitor reactor operation for safeguard application. Reactor simulation is an important source of…

Nuclear Experiment · Physics 2015-03-18 X. B. Ma , F. Lu , L. Z. Wang , Y. X. Chen , W. L. Zhong , F. P. An

The new generation of dedicated Engineering Strain Scanners at neutron facilities such as ENGIN-X at ISIS and SMARTS at LANSCE offer considerable increases in both the throughput of samples and the density of measurements which are feasible…

Materials Science · Physics 2007-05-23 J. A. James , J. R. Santistiban , M. R. Daymond , L. Edwards

Parallel Markov Chain Monte Carlo (pMCMC) algorithms generate clouds of proposals at each step to efficiently resolve a target probability distribution. We build a rigorous foundational framework for pMCMC algorithms that situates these…

magnum.np is a micromagnetic finite-difference library completely based on the tensor library PyTorch. The use of such a high level library leads to a highly maintainable and extensible code base which is the ideal candidate for the…

Computational Physics · Physics 2023-02-20 Florian Bruckner , Sabri Koraltan , Claas Abert , Dieter Suess

Low-cost FPGA platforms can broaden access to neuromorphic systems research, but current spiking neural network (SNN) workflows remain divided between hardware-first implementations, which are difficult to integrate with PyTorch-style…

Hardware Architecture · Computer Science 2026-04-27 Jiwoon Lee , Souvik Chakraborty , Syed Bahauddin Alam , Cheolsoo Park

Machine learning (ML) frameworks rely heavily on pseudorandom number generators (PRNGs) for tasks such as data shuffling, weight initialization, dropout, and optimization. Yet, the statistical quality and reproducibility of these…

Other Computer Science · Computer Science 2025-07-08 Benjamin A. Antunes

We present JeLLyFysh-Version1.0, an open-source Python application for event-chain Monte Carlo (ECMC), an event-driven irreversible Markov-chain Monte Carlo algorithm for classical N-body simulations in statistical mechanics, biophysics and…

Computational Physics · Physics 2020-11-13 Philipp Hoellmer , Liang Qin , Michael F. Faulkner , A. C. Maggs , Werner Krauth

Monte Carlo (MC) permutation test is considered the gold standard for statistical hypothesis testing, especially when standard parametric assumptions are not clear or likely to fail. However, in modern data science settings where a large…

Methodology · Statistics 2019-05-21 Martin J. Zhang , James Zou , David Tse

We present a new parallel PM N-body code named PMFAST that is freely available to the public. PMFAST is based on a two-level mesh gravity solver where the gravitational forces are separated into long and short range components. The…

Astrophysics · Physics 2007-05-23 Hugh Merz , Ue-Li Pen , Hy Trac
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