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In modern data-driven science, reproducibility and reusability are key challenges. Scientists are well skilled in the process from data to publication. Although some publication channels require source code and data to be made accessible,…

Artificial Intelligence · Computer Science 2023-07-14 Romeo Kienzler , Rafflesia Khan , Jerome Nilmeier , Ivan Nesic , Ibrahim Haddad

Although App updates are frequent and software engineers would like to verify updated features only, automated testing techniques verify entire Apps and are thus wasting resources. We present Continuous Adaptation of Learned Models (CALM),…

Software Engineering · Computer Science 2024-04-18 Chanh-Duc Ngo , Fabrizio Pastore , Lionel Briand

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

The CAMbridge Emission Line Surveyor (CAMELS) is a pathfinder program to demonstrate on-chip spectrometry at millimetre wavelengths. CAMELS will observe at frequencies from 103-114.7 GHz, providing 512 channels with a spectral resolution of…

Instrumentation and Methods for Astrophysics · Physics 2014-01-20 C. N. Thomas , S. Withington , R. Maiolino , D. J. Goldie , E. de Lera Acedo , J. Wagg , R. Blundell , S. Paine , L. Zeng

Improving smart grid system management is crucial in the fight against climate change, and enabling consumers to play an active role in this effort is a significant challenge for electricity suppliers. In this regard, millions of smart…

Machine Learning · Computer Science 2025-06-09 Adrien Petralia , Paul Boniol , Philippe Charpentier , Themis Palpanas

We implemented a control system for ultracold atom experiments. The system includes hardware modules that generate synchronized experiment signals of different kinds, and a protocol to communicate with all the modules. We also implemented…

Atomic Physics · Physics 2024-08-27 Kaiyue Wang , Colin Parker

Calibration is a vital step in the development of rigorous digital models of diverse physical and chemical processes, yet one which is highly time- and labour-intensive. In this paper, we introduce a novel tool, Autonomous Calibration and…

The Simulation Environment for Atomistic and Molecular Modeling (SEAMM) is an open-source software package written in Python that provides a graphical interface for setting up, executing, and analyzing molecular and materials simulations.…

NIMS-OS (NIMS Orchestration System) is a Python library created to realize a closed loop of robotic experiments and artificial intelligence (AI) without human intervention for automated materials exploration. It uses various combinations of…

Materials Science · Physics 2026-04-30 Ryo Tamura , Koji Tsuda , Shoichi Matsuda

To model dense crowds, the usual recourse to oversimplified (circular) pedestrian shapes and contact forces shows limitations. To help modellers overcome these limitations, we propose an open-source numerical tool. It consists of a Python…

Soft Condensed Matter · Physics 2026-02-18 Oscar Dufour , Maxime Stapelle , Alexandre Nicolas

Lab::Measurement is a framework for test and measurement automatization using Perl 5. While primarily developed with applications in mesoscopic physics in mind, it is widely adaptable. Internally, a layer model is implemented. Communication…

Instrumentation and Detectors · Physics 2018-10-18 S. Reinhardt , C. Butschkow , S. Geissler , A. Dirnaichner , F. Olbrich , C. E. Lane , D. Schröer , A. K. Hüttel

We present TTCF4LAMMPS, a toolkit for performing non-equilibrium molecular dynamics (NEMD) simulations to study fluid behaviour at low shear rates using the LAMMPS software. By combining direct NEMD simulations and the transient-time…

Soft Condensed Matter · Physics 2023-12-07 Luca Maffioli , James P. Ewen , Edward R. Smith , Sleeba Varghese , Peter J. Daivis , Daniele Dini , B. D. Todd

As intelligent systems and multi-agent coordination become increasingly central to real-world applications, there is a growing need for simulation tools that are both scalable and accessible. Existing high-fidelity simulators, while…

Artificial Intelligence · Computer Science 2026-02-06 Rohan Patil , Jai Malegaonkar , Xiao Jiang , Andre Dion , Gaurav S. Sukhatme , Henrik I. Christensen

In most of the cases, the experimental study of Nanotechnology involves high cost for Laboratory set-up and the experimentation processes were also slow. So, one cannot rely on experimental nanotechnology alone. As such, the Computer-Based…

Emerging Technologies · Computer Science 2011-09-09 Tamal Sarkar , Samir Chandra Das , Ardhendu Mandal

We developed a portable code for dissipative particle dynamics (DPD) simulations. This Fortran program named CAMUS has a couple of notable features. One is the omission of constructing the so-called neighboring particles list, providing a…

Chemical Physics · Physics 2018-07-03 Hideo Doi , Koji Okuwaki , Takamitsu Naito , Sona Saitou , Yuji Mochizuki

ParticLS (\emph{Partic}le \emph{L}evel \emph{S}ets) is a software library that implements the discrete element method (DEM) and meshfree methods. ParticLS tracks the interaction between individual particles whose geometries are defined by…

Mathematical Software · Computer Science 2022-04-26 Andrew D. Davis , Brendan A. West , Nathanael J. Frisch , Devin T. O'Connor , Matthew D. Parno

What if you could piece together your own custom biometrics and AI analysis system, a bit like LEGO blocks? We aim to bring that technology to field operators in the field who require flexible, high-performance edge AI system that can be…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-07-25 Joel Brogan , Matthew Yohe , David Cornett

MADNESS (multiresolution adaptive numerical environment for scientific simulation) is a high-level software environment for solving integral and differential equations in many dimensions that uses adaptive and fast harmonic analysis methods…

Fundamental experimental measurements of quantities such as ignition delay times, laminar flame speeds, and species profiles (among others) serve important roles in understanding fuel chemistry and validating chemical kinetic models.…

Chemical Physics · Physics 2018-01-18 Bryan W. Weber , Kyle E. Niemeyer
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