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Experimental science is increasingly driven by instruments that produce vast volumes of data and thus a need to manage, compute, describe, and index this data. High performance and distributed computing provide the means of addressing the…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-03-12 Jim Pruyne , Valerie Hayot-Sasson , Weijian Zheng , Ryan Chard , Justin M. Wozniak , Tekin Bicer , Kyle Chard , Ian T. Foster

Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broad set of community-developed LLM applications in an effort…

Materials Science · Physics 2026-05-06 Aritra Roy , Kevin Shen , Andrew MacBride , Awwal Oladipupo , Mudassra Taskeen , Wojtek Treyde , Ruaa A. E. A. Abakar , Ahmad D. Abbas , Elsayed Abdelfatah , Abbas A. Abdullahi , Seham S. Abyah , Chahd Rahyl Adjmi , Fariha Agbere , Savyasanchi Aggarwal , Muhammad Ahmed , Tasnim Ahmed , Motasem Ajlouni , Mattias Akke , Hussein AlAdwan , Anwaar S. Alazani , Zahra A. Alharbi , Wajd A. Aljulyhi , Mohammed A. AlKubaish , Fatima A. Almahri , Sayed A. Almohri , David Obeh Alobo , Mohammed Alouni , Azizah S. Alqahtani , Omar Alsaigh , Husain Althagafi , Md. Aqib Aman , Lena Ara , Arifin , Ignacio Arretche , Abdulaziz Ashy , Syeda A. Asim , Amro Aswad , Adeel Atta , Sören Auer , Abdullah al Azmi , Toheeb Balogun , Suvo Banik , Viktoriia Baibakova , Shakira A. Baksh , Neus G. Bastús , Christina J. Bayard , Adib Bazgir , Louis Beal , Lejla Biberić , Wahid Billah , Ankita Biswas , Joshua Bocarsly , Montassar T. Bouzidi , Esma B. Boydas , Youssef Briki , Cailin Buchanan , Mauricio Cafiero , Damien Caliste , Yi Cao , Rafael E. Castañeda , Sruthy K. Chandy , Benjamin Charmes , Shayantan Chaudhuri , Yiming Chen , Alexander Chen , Jieneng Chen , Min-Hsueh Chiu , Defne Circi , Cinthya H. Contreras , Yoann Cure , Nathan Daelman , Roshini Dantuluri , Thomas Davy , William Dawson , Leonid Didukh , Rui Ding , Aminu R. Doguwa , Claudia Draxl , Sathya Edamadaka , Oulaya Elargab , Christina Ertural , Matthew L. Evans , Edvin Fako , Hossam Farag , Nur A. Fathurrahman , Merve Fedai , Rodrigo P. Ferreira , Giuseppe Fisicaro , Thomas Frank , Sasi K. Gaddipati , Abhijeet Gangan , Jennifer Garland , James Garrick , Luigi Genovese , Maryam Ghadrdran , Sandip Giri , Maxime Goulet , Jeremy Goumaz , Sara U. Gracia , Jacob Graham , Gabriel Graves , Kevin P. Greenman , Tim Greitemeier , Cameron Gruich , Sophie Gu , Salomé Guilbert , Hans Gundlach , Muriel F. Gusta , Mourad El Haddaoui , Alexander J. Haibel , Anubhab Haldar , Vehaan Handa , Hassan Harb , Nathan D. Harms , Abdullah Al Hasan , Abir Hassan , Qiyao He , Andrés Henao-Aristizábal , Bram Hoex , Sungil Hong , Alexander J. Horvath , Md. Shaib Hossain , Yanqi Huang , Yuqing Huang , Kostiantyn Hubaiev , Donald Intal , Katherine Inzani , Kevin Ishimwe , Tugba Isik , Gopal R. Iyer , Katharina Jager , Jan Janssen , Hyewon Jeong , Michael Jirasek , Tyler R. Josephson , Nisarg Joshi , Yassir Ben Kacem , Remya A. M. Kalapurakal , Rakesh R. Kamath , Sugan Kanagasenthinathan , Dohun Kang , Jason Kantorow , Kübra Kaygisiz , Murat Keceli , Farhana Keya , Muhammad U. Khan , Sartaaj Takrim Khan , Hyungjun Kim , Alexander Kister , Sascha Klawohn , Collin Kovacs , Pranav Krishnan , Maurycy Kryzanowski , Ritesh Kumar , Suman Kumari , Gourav Kumbhojkar , Ryo Kuroki , Shashank Kushwaha , Magdalena Lederbauer , Jaejun Lee , Seunghan Lee , Jeonghwan Lee , Bingcan Li , Calvin Li , Zhanzhao Li , Shi Li , Shicheng Li , Chengyan Liu , Hao Liu , Tung Yan Liu , Yutong Liu , Lucia Vina-Lopez , Chayaphol Lortaraparsert , Andre K. Y. Low , Saffron Luxford , Carlos Madariaga , Rishikesh Magar , Piyush R. Maharana , Rahul Mallela , Shoaib Mahmud , Natesan Mani , Umair Mansoor , Omar B. Mansour , Cassandra Masschelein , Kinga O. Mastej , Ankit Mathanker , Jeffrey Meng , Omran Mezghani , Yidong Ming , Rishav Mitra , Michail Mitsakis , Matthew Miyagishima , Ravikumar Mohan , Naveen R. Mohanraj , Trupti Mohanty , Bernadette Mohr , Francisco A. Molina-Bakhos , Jeremy Monat , Seyed Mohamad Moosavi , Shayan Mousavi , Arman Moussavi , Rubel Mozumber , Muhammad J. Mufti , Diyana Muhammed , Ram Munde , Mrigi Munjal , José A. Márquez , Shankha Nag , Giacomo Nagaro , Juno Nam , Jose M. Napoles-Duarte , Ry Nduma , Xuan-Vu Nguyen , Ebrahim Norouzi , Oluwatosin Ohiro , Ryotaro Okabe , Viejay Ordillo , Shuichiro Ozawa , Sebastian Pagel , Daniel Palmer , Angela Pan , Akash Pandey , Vivek Pandit , Prakul Pandit , Chiku Parida , Jaehee Park , Hyunsoo Park , Hemangi Patel , Shakul Pathak , Taradutt Pattnaik , Elena Patyukova , Noah Paulson , Deepak S. Pendyala , Erick S. Pepek , Martin H. Petersen , Thang D. Pham , Aniket Phutane , Sabila K. Pinky , Étienne Polack , Alison Polasik , Maria Politi , Tim Pongratz , Akhila Ponugoti , Fabio Priante , Thomas Michael Pruyn , Sai S. Puppala , Mohammad A. Qazi , Heike Quosdorf , Gollam Rabby , Mohammad J. Raei , Md. Habibur Rahman , A. B. M. Ashikur Rahman , Subhashree Rajasekaran , Tawfiqur Rakib , Hemanth N. Ramesh , Vrushali Ranadive , Karnamohit Ranka , Bojana Rankovic , Adwaith Ravichandran , Ilija Rašović , Sergei Rigin , Tatem Rios , Varun Rishi , Victor Naden Robinson , Lucas S. Rodrigues , Oswaldo Rodriguez , Mahule Roy , Diptendu Roy , Subhas Roy , Arokia Anto Royan M , Joseph F. Rudzinski , Muhammad Sabih , Subramanyam Sahoo , Srusti Bheem Sain , Thahira Saliya , Vignesh Sampath , Jesus Diaz Sanchez , Arthur S. S. Santos , Muliady Satria , Hasan M. Sayeed , Jörg Schaarschmidt , Philippe Schwaller , Nofit Segal , Abhishec Senthilvel , Sherjeel Shabih , Devanshu Shah , Faezeh Shahmoradi , Samiha Sharlin , Killian Sheriff , Qiuyu Shi , Abubakar D. Shuaibu , Ayesha Siddiqua , M. A. Shadab Siddiqui , Darian Smalley , Benjamin Smith , Taylor D. Sparks , Daniel T. Speckhard , Elena Stojanovska , Akshay Subramanian , Jiwon Sun , Yunkai Sun , Abdul W. Syed , Souvik Ta , Izumi Takahara , Kelly Tallau , Guannan Tang , Ans B. Tariq , Sui X. Tay , Nurlybek Temirbay , Surya P. Tiwari , Febin Tom , Tajah Trapier , Kasidet J. Trerayapiwat , Samanvya Tripathi , Hawra H. Tuhaifa , Mustafa Unal , Mohammad Uzair , Vallabh Vasudevan , Estefania Vazquez , Victor Venturi , Rahul Verma , Ashwini Verma , Alvaro Vazquez-Mayagoitia , Nicholas Wagner , Araki Wakiuchi , Hao Wan , Liaoyaqi Wang , Wolfgang Wenzel , Alexander Wieczorek , Sze H. Wong , Yue Wu , Tong Xie , Andrew Yi , Ziqi Yin , Jodie A. Yuwono , Nahed A. Zaid , Mohd Zaki , Shehtab Zaman , Maimuna U. Zarewa , Mahtab Zehtab , Baosen Zhang , Wenyu Zhang , Melody Zhang , Yangfan Zhang , Yuwen Zhang , Runze Zhang , Zongmin Zhang , Huanhuan Zhao , Yuanlong Bill Zheng , Ramzi Zidani , Xue Zong , Ian Foster , Ben Blaiszik

Workflow is a common term used to describe a systematic breakdown of tasks that need to be performed to solve a problem. This concept has found best use in scientific and business applications for streamlining and improving the performance…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-11-08 Samiya Khan , Kashish Ara Shakil , Mansaf Alam

Artificial Intelligence (AI) and Machine Learning (ML) are weaving their way into the fabric of society, where they are playing a crucial role in numerous facets of our lives. As we witness the increased deployment of AI and ML in various…

Emerging Technologies · Computer Science 2022-12-23 Sasitharan Balasubramaniam , Samitha Somathilaka , Sehee Sun , Adrian Ratwatte , Massimiliano Pierobon

Workflows in biomolecular science are very important as they are intricately intertwined with the scientific outcomes, as well as algorithmic and methodological innovations. The use and effectiveness of workflow tools to meet the needs of…

Software Engineering · Computer Science 2019-05-29 Levi N. Naden , Sam Ellis , Shantenu Jha

Compound AI applications, composed from interactions between Large Language Models (LLMs), Machine Learning (ML) models, external tools and data sources are quickly becoming an integral workload in datacenters. Their diverse sub-components…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-14 Paramuth Samuthrsindh , Angel Cervantes , Varun Gohil , Gohar Irfan Chaudhry , Christina Delimitrou , Adam Belay

This work examines how AI, especially agentic systems, is being adopted in engineering and manufacturing workflows, what value it provides today, and what is needed for broader deployment. This is an exploratory and qualitative…

Computers and Society · Computer Science 2026-04-14 Kristen M. Edwards , Maxwell Bauer , Claire Jacquillat , A. John Hart , Faez Ahmed

In this paper, we present a novel framework that combines large language models (LLMs), digital twins and industrial automation system to enable intelligent planning and control of production processes. We retrofit the automation system for…

Robotics · Computer Science 2023-12-08 Yuchen Xia , Manthan Shenoy , Nasser Jazdi , Michael Weyrich

The evolving landscape of scientific computing requires seamless transitions from experimental to production HPC environments for interactive workflows. This paper presents a structured transition pathway developed at OLCF that bridges the…

Cloud-native is an approach to building and running scalable applications in modern cloud infrastructures, with the Kubernetes container orchestration platform being often considered as a fundamental cloud-native building block. In this…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-08-29 Michal Orzechowski , Bartosz Balis , Krzysztof Janecki

In collaborative robotic cells, a human operator and a robot share the workspace in order to execute a common job, consisting of a set of tasks. A proper allocation and scheduling of the tasks for the human and for the robot is crucial for…

Robotics · Computer Science 2021-04-30 Andrea Pupa , Chiara Talignani Landi , Mattia Bertolani , Cristian Secchi

Many existing scientific workflows require High Performance Computing environments to produce results in a timely manner. These workflows have several software library components and use different environments, making the deployment and…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-03-26 Liliane Kunstmann , Débora Pina , Daniel de Oliveira , Marta Mattoso

The ever growing demand for remote sensing data products by user community has resulted in many Indian and foreign remote sensing satellites being launched. The diversity in the remote sensing sensors has resulted in heterogeneous software…

Software Engineering · Computer Science 2015-09-30 Naresh Kumar Mallenahalli

Responsible artificial intelligence guidelines ask engineers to consider how their systems might harm. However, contemporary artificial intelligence systems are built by composing many preexisting software modules that pass through many…

Computers and Society · Computer Science 2023-06-22 David Gray Widder , Dawn Nafus

Developing artificial intelligence (AI) tools for healthcare is a collaborative effort, bringing data scientists, clinicians, patients and other disciplines together. In this paper, we explore the collaborative data practices of research…

Human-Computer Interaction · Computer Science 2024-01-17 Rafael Henkin , Elizabeth Remfry , Duncan J. Reynolds , Megan Clinch , Michael R. Barnes

In this paper we present SADDLE, a modular framework for automated design of cluster supercomputers and data centres. In contrast with commonly used approaches that operate on logic gate level (Verilog, VHDL) or board level (such as EDA…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-08-07 Konstantin S. Solnushkin

Science has a data management problem, as well as a project management problem. While industrial-grade data science teams have embraced the agile mindset, and adopted or created all kind of tools to create reproducible workflows,…

Computers and Society · Computer Science 2022-07-05 Juan Julián Merelo-Guervós , Mario García-Valdez

This paper presents an open-source, lightweight, yet comprehensive software framework, named RPC, which integrates physics-based simulators, planning and control libraries, debugging tools, and a user-friendly operator interface. RPC…

Robotics · Computer Science 2024-09-17 Seung Hyeon Bang , Carlos Gonzalez , Gabriel Moore , Dong Ho Kang , Mingyo Seo , Luis Sentis

Life and physical sciences have always been quick to adopt the latest advances in machine learning to accelerate scientific discovery. Examples of this are cell segmentation or cancer detection. Nevertheless, these exceptional results are…

Machine Learning · Computer Science 2022-04-26 Juan Manuel Parrilla-Gutierrez

Smart factories are on the verge of becoming the new industrial paradigm, wherein optimization permeates all aspects of production, from concept generation to sales. To fully pursue this paradigm, flexibility in the production means as well…

Artificial Intelligence · Computer Science 2018-06-20 Arthur Bit-Monnot , Francesco Leofante , Luca Pulina , Erika Abraham , Armando Tacchella
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