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An approach for incorporating embedded simulation and analysis capabilities in complex simulation codes through template-based generic programming is presented. This approach relies on templating and operator overloading within the C++…

Mathematical Software · Computer Science 2012-05-17 Roger P. Pawlowski , Eric T. Phipps , Andrew G. Salinger

X-ray propagation-based imaging techniques are well-established at synchrotron radiation and laboratory sources. However, most reconstruction algorithms for such image modalities, also known as phase retrieval algorithms, have been…

Image and Video Processing · Electrical Eng. & Systems 2020-12-16 Max Langer , Yuhe Zhang , Diogo Figueirinhas , Jean-Baptiste Forien , Claire Mouton , Rajmund Mokso , Pablo Villanueva-Perez

PHAST is a software package written in standard Fortran, with MPI and CUDA extensions, able to efficiently perform parallel multicanonical Monte Carlo simulations of single or multiple heteropolymeric chains, as coarse-grained models for…

Computational Physics · Physics 2017-02-08 Rafael B. Frigori

Scalable and efficient numerical simulations continue to gain importance, as computation is firmly established as the third pillar of discovery, alongside theory and experiment. Meanwhile, the performance of computing hardware grows through…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-06-26 Pietro Incardona , Antonio Leo , Yaroslav Zaluzhnyi , Rajesh Ramaswamy , Ivo F. Sbalzarini

In this paper we present SimCommSys, a Simulator of Communication Systems that we are releasing under an open source license. The core of the project is a set of C++ libraries defining communication system components and a distributed Monte…

Information Theory · Computer Science 2018-02-26 Johann A. Briffa , Stephan Wesemeyer

We develop and analyse the first second-order phase-field model to combine melting and dissolution in multi-component flows. This provides a simple and accurate way to simulate challenging phase-change problems in existing codes.…

Computational Physics · Physics 2020-12-09 Eric W. Hester , Louis-Alexandre Couston , Benjamin Favier , Keaton J. Burns , Geoffrey M. Vasil

Numerical simulations based on particle methods have been widely used in various fields including astrophysics. To date, simulation softwares have been developed by individual researchers or research groups in each field, with a huge amount…

Instrumentation and Methods for Astrophysics · Physics 2018-06-27 Daisuke Namekata , Masaki Iwasawa , Keigo Nitadori , Ataru Tanikawa , Takayuki Muranushi , Long Wang , Natsuki Hosono , Kentaro Nomura , Junichiro Makino

Palabos-npFEM is a computational framework for the simulation of blood flow with fully resolved constituents. The software resolves the trajectories and deformed state of blood cells, such as red blood cells and platelets, and the complex…

Computational Physics · Physics 2021-07-22 Christos Kotsalos , Jonas Latt , Bastien Chopard

The Python package fluidfft provides a common Python API for performing Fast Fourier Transforms (FFT) in sequential, in parallel and on GPU with different FFT libraries (FFTW, P3DFFT, PFFT, cuFFT). fluidfft is a comprehensive FFT framework…

Mathematical Software · Computer Science 2019-04-11 Ashwin Vishnu Mohanan , Cyrille Bonamy , Pierre Augier

Recent advances in machine learning force fields (MLFF) have significantly extended the reach of atomistic simulations. Continuous progress in this field requires reliable reference datasets, accurate MLFF architectures, and efficient…

Chemical Physics · Physics 2025-10-24 Tobias Henkes , Shubham Sharma , Alexandre Tkatchenko , Mariana Rossi , Igor Poltavskyi

Many numerical simulation tools have been developed and are on the market, but there is still a strong need for appropriate tools capable of simulating multi-field problems, especially in aeroacoustics. Therefore, openCFS provides an…

Computational Engineering, Finance, and Science · Computer Science 2026-01-12 Andreas Wurzinger , Patrick Heidegger , Stefan Schoder

We develop methodology allowing to simulate a stationary functional time series defined by means of its spectral density operators. Our framework is general, in that it encompasses any such stationary functional time series, whether linear…

Methodology · Statistics 2020-07-17 Tomáš Rubín , Victor M. Panaretos

We introduce Simulation Streams, a programming paradigm designed to efficiently control and leverage Large Language Models (LLMs) for complex, dynamic simulations and agentic workflows. Our primary goal is to create a minimally interfering…

Artificial Intelligence · Computer Science 2025-02-03 Peter Sunehag , Joel Z. Leibo

Semantics-Guided Synthesis (SemGuS) is a programmable framework for defining synthesis problems in a domain- and solver-agnostic way. This paper presents the standardized SemGuS format, together with an open-source toolkit that provides a…

Programming Languages · Computer Science 2024-06-05 Keith J. C. Johnson , Andrew Reynolds , Thomas Reps , Loris D'Antoni

$\textbf{scqubits}$ is an open-source Python package for simulating and analyzing superconducting circuits. It provides convenient routines to obtain energy spectra of common superconducting qubits, such as the transmon, fluxonium, flux,…

Quantum Physics · Physics 2021-11-24 Peter Groszkowski , Jens Koch

Numerous full-field numerical methods exist concerning the digital description of polycrystalline materials and the modeling of their evolution during thermomechanical treatments. However, these strategies are globally dedicated to the…

Computational Engineering, Finance, and Science · Computer Science 2022-08-22 Nitish Chandrappa , Marc Bernacki

The availability of open-source molecular simulation software packages allows scientists and engineers to focus on running and analyzing simulations without having to write, parallelize, and validate their own simulation software. While…

Computational Physics · Physics 2025-10-03 Simon Gravelle , Cecilia M. S. Alvares , Jacob R. Gissinger , Axel Kohlmeyer

Stochastic, spatial reaction-diffusion simulations have been widely used in systems biology and computational neuroscience. However, the increasing scale and complexity of simulated models and morphologies have exceeded the capacity of any…

Quantitative Methods · Quantitative Biology 2016-10-10 Weiliang Chen , Erik De Schutter

Synthetic data has emerged as a crucial solution to the data scarcity bottleneck in large language models (LLMs), particularly for specialized domains and low-resource languages. However, the broader adoption of existing synthetic data…

Machine Learning · Computer Science 2026-05-12 Zhichao Shi , Cehao Yang , Hao Zhou , Xiaojun Wu , Huajie Li , Xuhui Jiang , Chengjin Xu , Yuanzhuo Wang , Jian Guo

Space is a circuit oriented, spatial programming language designed to exploit the massive parallelism available in a novel formal model of computation called the Synchronic A-Ram, and physically related FPGA and reconfigurable…

Computation and Language · Computer Science 2010-08-31 Alex V Berka