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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.…

To enhance the undergraduate and graduate engineering education for nanoscale materials, devices and systems, we report a multi-disciplinary course based on the integration of theory, hands-on laboratory and hands-on computation into a…

Mesoscale and Nanoscale Physics · Physics 2013-03-27 Hassan Raza , Tehseen Z. Raza

While self-supervised pretraining has reduced vision systems' reliance on synthetic data, simulation remains an indispensable tool for closed-loop optimization and rigorous out-of-distribution (OOD) evaluation. However, modern simulation…

Computer Vision and Pattern Recognition · Computer Science 2026-05-13 Wufei Ma , Chloe Wang , Siyi Chen , Jiawei Peng , Patrick Li , Alan Yuille

Today's quantum computers are primarily accessible through the cloud and potentially shifting to the edge network in the future. With the rapid advancement and proliferation of quantum computing research worldwide, there has been a…

Quantum Physics · Physics 2023-11-09 Hoa T. Nguyen , Muhammad Usman , Rajkumar Buyya

High-performance, multi-core processors are the key to accelerating workloads in several application domains. To continue to scale performance at the limit of Moore's Law and Dennard scaling, software and hardware designers have turned to…

Hardware Architecture · Computer Science 2023-10-27 Changxi Liu , Alen Sabu , Akanksha Chaudhari , Qingxuan Kang , Trevor E. Carlson

Matter-RADiation interaction SIMulation (MRADSIM) is an innovative modular software toolkit developed to simulate the effects of radiation on electronic components, human beings and various materials. It incorporates innovative features…

This paper discusses further evaluations of the educational effectiveness of an existing CPU visual simulator (CPUVSIM). The CPUVSIM, as an Open Educational Resource, has been iteratively improved over a number of years following an Open…

Hardware Architecture · Computer Science 2024-11-11 Renato Cortinovis , Tamer Mohamed Abdellatif , Devender Goyal , Luiz Fernando Capretz

Functional magnetic resonance imaging (fMRI) is a powerful tool for investigating human brain function. However, the high cost of data acquisition and the inherent subjectivity of psychiatric rating scales often lead to datasets with small…

Machine Learning · Computer Science 2026-05-29 Jiyao Wang , Peiyu Duan , Nicha C. Dvornek , Lawrence H. Staib , Denis Sukhodolsky , Pamela Ventola , James S. Duncan

A large amount of data is produced every second from modern information systems such as mobile devices, the world wide web, Internet of Things, social media, etc. Analysis and mining of this massive data requires a lot of advanced tools and…

Machine Learning · Computer Science 2020-01-13 Rising Odegua , Festus Ikpotokin

We introduce AppQSim, a benchmarking suite for quantum computers focused on applications of Hamiltonian simulation. We consider five different settings for which we define a precise task and score: condensed matter and material simulation…

Quantum Physics · Physics 2025-11-13 Etienne Granet , Henrik Dreyer

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

Quantum computing, an innovative computing system carrying prominent processing rate, is meant to be the solutions to problems in many fields. Among these realms, the most intuitive application is to help chemical researchers correctly…

Quantum Physics · Physics 2022-12-29 Qingchun Wang , Huan-Yu Liu , Qing-Song Li , Jianyu Zhao , Qiankun Gong , Ye Li , Yu-Chun Wu , Guo-Ping Guo

ScopeSim is a flexible multipurpose instrument data simulation framework built in Python. It enables both raw and reduced observation data to be simulated for a wide range of telescopes and instruments quickly and efficiently on a personal…

Instrumentation and Methods for Astrophysics · Physics 2021-09-29 Kieran Leschinski , Hugo Buddelmeijer , Oliver Czoske , Miguel Verdugo , Gijs Verdoes-Kleijn , Werner Zeilinger

We introduce SciWING, an open-source software toolkit which provides access to pre-trained models for scientific document processing tasks, inclusive of citation string parsing and logical structure recovery. SciWING enables researchers to…

Digital Libraries · Computer Science 2020-10-26 Abhinav Ramesh Kashyap , Min-Yen Kan

Resource allocation is an essential design aspect for current systems and bandwidth allocation is an essential design aspect in multi-protocol label switched and OpenFlow/SDN network infrastructures. The bandwidth allocation models (BAMs)…

Networking and Internet Architecture · Computer Science 2021-02-02 Rafael F. Reale , Walter P. neto , Joberto S. B. Martins

In order to characterize and benchmark computational hardware, software, and algorithms, it is essential to have many problem instances on-hand. This is no less true for quantum computation, where a large collection of real-world problem…

Interest in applying Artificial Intelligence (AI) techniques to compiler optimizations is increasing rapidly, but compiler research has a high entry barrier. Unlike in other domains, compiler and AI researchers do not have access to the…

Machine learning (ML) is increasingly becoming a common tool in computational chemistry. At the same time, the rapid development of ML methods requires a flexible software framework for designing custom workflows. MLatom 3 is a program…

Workflow support typically focuses on single simulation experiments. This is also the case for simulation based on finite element methods. If entire simulation studies shall be supported, flexible means for intertwining revising the model,…

Computational Engineering, Finance, and Science · Computer Science 2020-10-16 Andreas Ruscheinski , Pia Wilsdorf , Julius Zimmermann , Ursula van Rienen , Adelinde M. Uhrmacher

User simulation is a valuable methodology for evaluation in Information Retrieval (IR), enabling low-cost experimentation and counterfactual analysis. However, existing simulation frameworks are primarily code-centric libraries that require…

Information Retrieval · Computer Science 2026-04-28 Saber Zerhoudi , Adam Roegiest , Michael Granitzer
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