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MiMiC is a flexible and efficient framework for multiscale simulations in which different subsystems are treated by individual client programs. In this work, we present a new interface with OpenMM to be used as an MM client program and we…

Chemical Physics · Physics 2025-02-11 Andrea Levy , Andrej Antalík , Jógvan Magnus Haugaard Olsen , Ursula Rothlisberger

The analysis of experimental results with Python often requires writing many code scripts which all need access to the same set of functions. In a common field of research, this set will be nearly the same for many users. The qspec Python…

Computational Physics · Physics 2025-03-18 Patrick Müller , Wilfried Nörtershäuser

This article presents an innovative open-source software named ModelFLOWs-app, written in Python, which has been created and tested to generate precise and robust hybrid reduced order models (ROMs) fully data-driven. By integrating modal…

Computational Engineering, Finance, and Science · Computer Science 2023-05-30 A. Hetherington , A. Corrochano , R. Abadía-Heredia , E. Lazpita , E. Muñoz , P. Díaz , E. Moira , M. López-Martín , S. Le Clainche

Local governments, as part of 'smart city' initiatives and to promote interoperability, are increasingly incorporating open-source software into their data management, analysis, and visualisation workflows. Python, with its concise and…

Computers and Society · Computer Science 2022-03-01 Gregor Herda , Robert McNabb

Computer simulation has become one of the most important tools in scientific research in many disciplines. Benefiting from the dynamical trajectories regulated by versatile interatomic interactions, various material properties can be…

Materials Science · Physics 2024-11-28 Y. -C. Hu , J. Tian

High-level programming languages such as Python are increasingly used to provide intuitive interfaces to libraries written in lower-level languages and for assembling applications from various components. This migration towards…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-05-21 Yadu Babuji , Anna Woodard , Zhuozhao Li , Daniel S. Katz , Ben Clifford , Rohan Kumar , Lukasz Lacinski , Ryan Chard , Justin M. Wozniak , Ian Foster , Michael Wilde , Kyle Chard

We present a Python extension to the massively parallel HPC simulation toolkit waLBerla. waLBerla is a framework for stencil based algorithms operating on block-structured grids, with the main application field being fluid simulations in…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-11-24 Martin Bauer , Florian Schornbaum , Christian Godenschwager , Matthias Markl , Daniela Anderl , Harald Köstler , Ulrich Rüde

Epically Powerful is an open-source robotics infrastructure that streamlines the underlying framework of wearable robotic systems - managing communication protocols, clocking, actuator commands, visualization, sensor data acquisition, data…

Developing smart house systems has been a great challenge for researchers and engineers in this area because of the high cost of implementation and evaluation process of these systems, while being very time consuming. Testing a designed…

Artificial Intelligence · Computer Science 2011-05-17 Zahra Forootan Jahromi , Amir Rajabzadeh , Ali Reza Manashty

We present release 2.0 of the ALPS (Algorithms and Libraries for Physics Simulations) project, an open source software project to develop libraries and application programs for the simulation of strongly correlated quantum lattice models…

The dynamic behaviour of a power system can be described by a system of differential-algebraic equations. Time-domain simulations are used to simulate the evolution of these dynamics. They often require the use of small time step sizes and…

Systems and Control · Electrical Eng. & Systems 2024-07-08 Jochen Stiasny , Baosen Zhang , Spyros Chatzivasileiadis

We present PyMoosh, a Python-based simulation library designed to provide a comprehensive set of numerical tools allowing to compute essentially all optical characteristics of multilayered structures, ranging from reflectance and…

In energy modelling, open data and open source code can help enhance traceability and reproducibility of model exercises which contribute to facilitate controversial debates and improve policy advice. While the availability of open power…

Computers and Society · Computer Science 2018-09-05 Fabian Gotzens , Heidi Heinrichs , Jonas Hörsch , Fabian Hofmann

Data movement between memory and processors is a major bottleneck in modern computing systems. The processing-in-memory (PIM) paradigm aims to alleviate this bottleneck by performing computation inside memory chips. Real PIM hardware (e.g.,…

Hardware Architecture · Computer Science 2023-10-04 Jinfan Chen , Juan Gómez-Luna , Izzat El Hajj , Yuxin Guo , Onur Mutlu

We introduce SeeMPS, a Python library dedicated to implementing tensor network algorithms based on the well-known Matrix Product States (MPS) and Quantized Tensor Train (QTT) formalisms. SeeMPS is implemented as a complete finite precision…

Recent accessibility of affordable sensing technologies, microcontrollers, and wireless communication technology has made it possible for stormwater systems to be retrofitted with an assortment of sensors and actuators. These smart…

Natural microbial communities contain hundreds to thousands of interacting species. For this reason, computational simulations are playing an increasingly important role in microbial ecology. In this manuscript, we present a new…

Populations and Evolution · Quantitative Biology 2020-07-01 Robert Marsland , Wenping Cui , Joshua Goldford , Pankaj Mehta

Increasing complexity in the power system and the transformation towards a smart grid lead to the necessity of new tools and methods for the development and testing of new technologies. One testing method is co-simulation, which allows…

Computational Engineering, Finance, and Science · Computer Science 2024-10-23 Jan Sören Schwarz , Cornelius Steinbrink , Sebastian Lehnhoff

Simulations with high accuracy are an essential part of scientific research to accelerate the innovation process. They are especially useful for finding novel approaches or optimizing existing methods. Today, powerful software tools are…

Medical Physics · Physics 2022-08-31 Patrick Vogel , Martin A. Rückert , Thomas Kampf , Volker C. Behr

The integration of experiment technologies with large language models (LLMs) is transforming scientific research, offering AI capabilities beyond specialized problem-solving to becoming research assistants for human scientists. In power…

Systems and Control · Electrical Eng. & Systems 2024-11-21 Mengshuo Jia , Zeyu Cui , Gabriela Hug
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