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200 papers

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

We summarize the status of Deep Underground Neutrino Experiment (DUNE) Offline Software and Computing program. We describe plans for the computing infrastructure needed to acquire, catalog, reconstruct, simulate and analyze the data from…

Accelerator Physics · Physics 2023-12-19 Michael Kirby

The synthesis of high-performance computing (particularly graphics processing units), cloud computing services (like Google Colab), and high-level deep learning frameworks (such as PyTorch) has powered the burgeoning field of artificial…

Computational Physics · Physics 2020-03-23 Vaibhav Vavilala

We are developing the Virtual Experiences (Vx)Lab, a research and research training infrastructure and capability platform for global collaboration. VxLab comprises labs with visualisation capabilities, including underpinning networking to…

Other Computer Science · Computer Science 2015-11-02 Ian D. Peake , Jan Olaf Blech , Ian Thomas , Nicholas May , Heinz W. Schmidt , Lasith Fernando , Ravi Sreenivasamurthy

"Science gateway" (SG) ideology means a user-friendly intuitive interface between scientists (or scientific communities) and different software components + various distributed computing infrastructures (DCIs) (like grids, clouds,…

Computational Engineering, Finance, and Science · Computer Science 2014-04-24 Yuri Gordienko , Lev Bekenev , Olexandra Baskova , Olexander Gatsenko , Elena Zasimchuk , Sergii Stirenko

Each LHC experiment will produce datasets with sizes of order one petabyte per year. All of this data must be stored, processed, transferred, simulated and analyzed, which requires a computing system of a larger scale than ever mounted for…

Instrumentation and Detectors · Physics 2009-10-05 Kenneth Bloom

The convergence of IoT, Edge, Cloud, and HPC technologies creates a compute continuum that merges cloud scalability and flexibility with HPC's computational power and specialized optimizations. However, integrating cloud and HPC resources…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-05-20 Aasish Kumar Sharma , Christian Boehme , Patrick Gelß , Ramin Yahyapour , Julian Kunkel

The explosion of data volumes generated by an increasing number of applications is strongly impacting the evolution of distributed digital infrastructures for data analytics and machine learning (ML). While data analytics used to be mainly…

Machine Learning · Computer Science 2022-05-03 Daniel Rosendo , Alexandru Costan , Patrick Valduriez , Gabriel Antoniu

ATLAS, a general-purpose experiment at the Large Hadron Collider (LHC), makes use of a large internationally-distributed computing infrastructure, including over $10^6$ TB of managed data on disk and tape and almost one million…

High Energy Physics - Experiment · Physics 2026-04-16 ATLAS Collaboration

This paper presents a new Large Language Model (LLM)-based Smart Device Management framework, a pioneering approach designed to address the intricate challenges of managing intelligent devices within public facilities, with a particular…

Artificial Intelligence · Computer Science 2025-01-14 Siguo Bi , Jilong Zhang , Wei Ni

Large-scale network experiments is a challenging problem. Simulations, emulations, and real-world testbeds all have their advantages and disadvantages. In this paper we present LiteLab, a light-weight platform specialized for large-scale…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-12-02 Liang Wang , Jussi Kangasharju

Given that Large Language Models (LLMs) have made significant progress in writing code, can they now be used to autonomously reproduce results from research repositories? Such a capability would be a boon to the research community, helping…

Artificial Intelligence · Computer Science 2024-09-12 Ben Bogin , Kejuan Yang , Shashank Gupta , Kyle Richardson , Erin Bransom , Peter Clark , Ashish Sabharwal , Tushar Khot

Large Language Models (LLMs) have significantly advanced artificial intelligence by optimizing traditional Natural Language Processing (NLP) workflows, facilitating their integration into various systems. Many such NLP systems, including…

Computation and Language · Computer Science 2025-05-13 Jiliang Ni , Jiachen Pu , Zhongyi Yang , Kun Zhou , Hui Wang , Xiaoliang Xiao , Dakui Wang , Xin Li , Jingfeng Luo , Conggang Hu

With recent advancements in deep neural networks (DNNs), we are able to solve traditionally challenging problems. Since DNNs are compute intensive, consumers, to deploy a service, need to rely on expensive and scarce compute resources in…

Computer Vision and Pattern Recognition · Computer Science 2019-01-10 Ramyad Hadidi , Jiashen Cao , Micheal S. Ryoo , Hyesoon Kim

Rising computational demands of modern natural language processing (NLP) systems have increased the barrier to entry for cutting-edge research while posing serious environmental concerns. Yet, progress on model efficiency has been impeded…

We describe the development of a scientific cloud computing (SCC) platform that offers high performance computation capability. The platform consists of a scientific virtual machine prototype containing a UNIX operating system and several…

Computational Physics · Physics 2013-12-02 Kevin Jorissen , Fernando D. Vila , John J. Rehr

Modeling environmental ecosystems is essential for effective resource management, sustainable development, and understanding complex ecological processes. However, traditional methods frequently struggle with the inherent complexity,…

Machine Learning · Computer Science 2025-03-06 Runlong Yu , Shengyu Chen , Yiqun Xie , Xiaowei Jia

In more and more application areas, we are witnessing the emergence of complex workflows that combine computing, analytics and learning. They often require a hybrid execution infrastructure with IoT devices interconnected to cloud/HPC…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-08-10 Daniel Rosendo , Alexandru Costan , Gabriel Antoniu , Matthieu Simonin , Jean-Christophe Lombardo , Alexis Joly , Patrick Valduriez

The MIT SuperCloud database management system allows for rapid creation and flexible execution of a variety of the latest scientific databases, including Apache Accumulo and SciDB. It is designed to permit these databases to run on a High…

The exponential growth in the size and complexity of Large Language Models (LLMs) has introduced unprecedented challenges in their deployment and operational management. Traditional MLOps approaches often fail to efficiently handle the…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-01-28 Mahesh Vaijainthymala Krishnamoorthy , Kuppusamy Vellamadam Palavesam , Siva Venkatesh Arcot , Rajarajeswari Chinniah Kuppuswami