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We present DFT-FE 1.0, building on DFT-FE 0.6 [Comput. Phys. Commun. 246, 106853 (2020)], to conduct fast and accurate large-scale density functional theory (DFT) calculations (reaching ~ $100,000$ electrons) on both many-core CPU and…

Computational Physics · Physics 2022-08-31 Sambit Das , Phani Motamarri , Vishal Subramanian , David M. Rogers , Vikram Gavini

The global sensitivity analysis method, used to quantify the influence of uncertain input variables on the response variability of a numerical model, is applicable to deterministic computer code (for which the same set of input variables…

Methodology · Statistics 2009-06-08 Bertrand Iooss , Mathieu Ribatet , Amandine Marrel

This article presents MuMFiM, an open source application for multiscale modeling of fibrous materials on massively parallel computers. MuMFiM uses two scales to represent fibrous materials such as biological network materials (extracellular…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-04 Jacob Merson , Catalin Picu , Mark S. Shephard

While Deep Reinforcement Learning has been widely researched in medical imaging, the training and deployment of these models usually require powerful GPUs. Since imaging environments evolve rapidly and can be generated by edge devices, the…

Machine Learning · Computer Science 2023-06-09 Guangyao Zheng , Shuhao Lai , Vladimir Braverman , Michael A. Jacobs , Vishwa S. Parekh

Latest experimental and evaluated $\alpha$-decay half-lives between 82$\leq$Z$\leq$118 have been used to modify two empirical formulas: (i) Horoi scaling law [J. Phys. G \textbf{30}, 945 (2004)], and Sobiczewski formula [Acta Phys. Pol. B…

Nuclear Theory · Physics 2021-05-26 G. Saxena , P. K. Sharma , Prafulla Saxena

Scaling Transformers to ultra-long contexts is bottlenecked by the $O(n^2 d)$ cost of self-attention. Existing methods reduce this cost along the sequence axis through local windows, kernel approximations, or token-level sparsity, but these…

Machine Learning · Computer Science 2026-03-31 Yan Xie , Tiansheng Wen , Tangda Huang , Bo Chen , Chenyu You , Stefanie Jegelka , Yifei Wang

4D Gaussian Splatting (4DGS) has recently emerged as a promising technique for capturing complex dynamic 3D scenes with high fidelity. It utilizes a 4D Gaussian representation and a GPU-friendly rasterizer, enabling rapid rendering speeds.…

Computer Vision and Pattern Recognition · Computer Science 2025-07-23 Xinjie Zhang , Zhening Liu , Yifan Zhang , Xingtong Ge , Dailan He , Tongda Xu , Yan Wang , Zehong Lin , Shuicheng Yan , Jun Zhang

This contribution about amplitude analyses in multibody hadronic charm decays deals with some attempts to introduce theoretical constraints. Different effective hadronic formalism approaches are mentioned. A recent work, based on a basic…

High Energy Physics - Phenomenology · Physics 2017-11-20 B. Loiseau

Stochastic simulation techniques employed for the analysis of portfolios of insurance/reinsurance risk, often referred to as `Aggregate Risk Analysis', can benefit from exploiting state-of-the-art high-performance computing platforms. In…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-08-19 A. K. Bahl , O. Baltzer , A. Rau-Chaplin , B. Varghese , A. Whiteway

Sparse pseudo-point approximations for Gaussian process (GP) models provide a suite of methods that support deployment of GPs in the large data regime and enable analytic intractabilities to be sidestepped. However, the field lacks a…

Machine Learning · Statistics 2017-11-15 Thang D. Bui , Cuong V. Nguyen , Richard E. Turner

We present an alternative GPU acceleration for plane waves pseudopotentials electronic structure codes designed for systems that have small unit cells but require a large number of k points to sample the Brillouin zone as happens, for…

Materials Science · Physics 2025-07-31 Xuejun Gong , Andrea Dal Corso

Theoretical interpretations of particle physics data, such as the determination of the Wilson coefficients of the Standard Model Effective Field Theory (SMEFT), often involve the inference of multiple parameters from a global dataset.…

High Energy Physics - Phenomenology · Physics 2023-05-24 Raquel Gomez Ambrosio , Jaco ter Hoeve , Maeve Madigan , Juan Rojo , Veronica Sanz

Modern image formation algorithms in radio interferometry rely on repeated applications of the operator {\Phi} modelling the measurement process and its adjoint {Phi^\dagger} to enforce consistency with the acquired data, specifically via…

Instrumentation and Methods for Astrophysics · Physics 2026-05-27 Arwa Dabbech , Yves Wiaux

We present an accurate and efficient finite-difference formulation and parallel implementation of Kohn-Sham Density (Operator) Functional Theory (DFT) for non periodic systems embedded in a bulk environment. Specifically, employing…

Computational Physics · Physics 2020-11-30 Swarnava Ghosh , Kaushik Bhattacharya

We study parallel algorithms for the minimization of Deterministic Finite Automata (DFAs). In particular, we implement four different massively parallel algorithms on Graphics Processing Units (GPUs). Our results confirm the expectations…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-10-31 Jan Martens , Anton Wijs

Key to being able to accurately model the properties of realistic materials is being able to predict their properties in the thermodynamic limit. Nevertheless, because most many-body electronic structure methods scale as a high-order…

Chemical Physics · Physics 2024-04-04 Edgar Josué Landinez Borda , Kenneth O. Berard , Annette Lopez , Brenda Rubenstein

This work presents a novel surface decomposition method for the sensitivity analysis of first-passage dynamic reliability of linear systems subjected to Gaussian random excitations. The method decomposes the sensitivity of first-passage…

Methodology · Statistics 2026-03-09 Jianhua Xian , Sai Hung Cheung , Cheng Su

X-ray ptychography imaging at synchrotron facilities like the Advanced Photon Source (APS) involves controlling instrument hardwares to collect a set of diffraction patterns from overlapping coherent illumination spots on extended samples,…

Instrumentation and Detectors · Physics 2022-02-10 Ke Yue , Junjing Deng , Yi Jiang , Youssef Nashed , David Vine , Stefan Vogt

We show how to adapt the approach introduced for viscous damping in [1] to derive the approximate amplitude decay in the case of damping by a force of constant magnitude (sliding friction) and in the case of damping by a force proportional…

Classical Physics · Physics 2025-09-05 Karlo Lelas , Robert Pezer

Despite the increased computational resources, the simulation-based design optimization (SBDO) procedure can be very expensive from a computational viewpoint, especially if high-fidelity solvers are required. Multi-fidelity metamodels have…

Optimization and Control · Mathematics 2021-07-30 Simone Ficini , Umberto Iemma , Riccardo Pellegrini , Andrea Serani , Matteo Diez
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