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Related papers: Towards FAIR Astrophysical Simulations

200 papers

Simulations inform all aspects of modern astrophysical research, ranging in scale from 1D and 2D test problems that can run in seconds on an astronomer's laptop all the way to large-scale 3D calculations that run on the largest…

Instrumentation and Methods for Astrophysics · Physics 2017-11-29 Nathan J Goldbaum

The findable, accessible, interoperable, and reusable (FAIR) data principles provide a framework for examining, evaluating, and improving how data is shared to facilitate scientific discovery. Generalizing these principles to research…

Scientific data management is at a critical juncture, driven by exponential data growth, increasing cross-domain dependencies, and a severe reproducibility crisis in modern research. Traditional centralized data management approaches are…

Databases · Computer Science 2025-04-30 Sebastian Beyvers , Jannis Hochmuth , Lukas Brehm , Maria Hansen , Alexander Goesmann , Frank Förster

We discuss important aspects of HCI research regarding Research Data Management (RDM) to achieve better publication processes and higher reuse of HCI research results. Various context elements of RDM for HCI are discussed, including…

Human-Computer Interaction · Computer Science 2025-02-03 David Goedicke , Mark Colley , Sebastian S. Feger , Michael Goedicke , Bastian Pfleging , Wendy Ju

As the number of cloud platforms supporting scientific research grows, there is an increasing need to support interoperability between two or more cloud platforms, as a growing amount of data is being hosted in cloud-based platforms. A well…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-02-16 Robert L. Grossman , Rebecca R. Boyles , Brandi N. Davis-Dusenbery , Amanda Haddock , Allison P. Heath , Brian D. O'Connor , Adam C. Resnick , Deanne M. Taylor , Stan Ahalt

The FAIR (Findable, Accessible, Interoperable, and Reusable) data principles [1] promote the interoperability of scientific data by encouraging the use of persistent identifiers, standardized vocabularies, and formal metadata structures.…

The prosperity and lifestyle of our society are very much governed by achievements in condensed matter physics, chemistry and materials science, because new products for sectors such as energy, the environment, health, mobility and…

Modern workflows run on increasingly heterogeneous computing architectures and with this heterogeneity comes additional complexity. We aim to apply the FAIR principles for research reproducibility by developing software to collect metadata…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-06-19 Polina Shpilker , Line Pouchard

The rapid growth of data in the recent years has led to the development of complex learning algorithms that are often used to make decisions in real world. While the positive impact of the algorithms has been tremendous, there is a need to…

Machine Learning · Computer Science 2022-01-03 Ankit Kulshrestha , Ilya Safro

The issue of reproducibility of computational models and the related FAIR principles (findable, accessible, interoperable, and reusable) are examined in a specific test case. I analyze a computational model of the segment polarity network…

Molecular Networks · Quantitative Biology 2023-06-07 Pedro Mendes

With the goal of uncovering the challenges faced by European AI students during their research endeavors, we surveyed 28 AI doctoral candidates from 13 European countries. The outcomes underscore challenges in three key areas: (1) the…

Computers and Society · Computer Science 2024-08-14 Andrea Hrckova , Jennifer Renoux , Rafael Tolosana Calasanz , Daniela Chuda , Martin Tamajka , Jakub Simko

A key issue hindering discoverability, attribution and reusability of open research software is that its existence often remains hidden within the manuscript of research papers. For these resources to become first-class bibliographic…

Robot behavior is often validated through simulation-based testing, yet the replicability of such campaigns depends critically on transparent documentation of how tests are configured, executed, and post-processed. We argue that data…

Robotics · Computer Science 2026-05-29 Argentina Ortega , Samuel Wiest , Frederik Pasch , Nico Hochgeschwender

The sharing and citation of research data is becoming increasingly recognized as an essential building block in scientific research across various fields and disciplines. Sharing research data allows other researchers to reproduce results,…

Digital Libraries · Computer Science 2023-09-22 Tim Conrad , Eloi Ferrer , Daniel Mietchen , Larissa Pusch , Johannes Stegmuller , Moritz Schubotz

The reproduction and replication of research results has become a major issue for a number of scientific disciplines. In computer science and related computational disciplines such as systems biology, the challenges closely revolve around…

Software Engineering · Computer Science 2017-07-31 Tom Crick , Benjamin A. Hall , Samin Ishtiaq

This letter illustrates the opinion of the molecular dynamics (MD) community on the need to adopt a new FAIR paradigm for the use of molecular simulations. It highlights the necessity of a collaborative effort to create, establish, and…

Biomolecules · Quantitative Biology 2025-04-04 Rommie Amaro , Johan Åqvist , Ivet Bahar , Federica Battistini , Adam Bellaiche , Daniel Beltran , Philip C. Biggin , Massimiliano Bonomi , Gregory R. Bowman , Richard Bryce , Giovanni Bussi , Paolo Carloni , David Case , Andrea Cavalli , Chie-En A. Chang , Thomas E. Cheatham , Margaret S. Cheung , Cris Chipot , Lillian T. Chong , Preeti Choudhary , Gerardo Andres Cisneros , Cecilia Clementi , Rosana Collepardo-Guevara , Peter Coveney , Roberto Covino , T. Daniel Crawford , Matteo Dal Peraro , Bert de Groot , Lucie Delemotte , Marco De Vivo , Jonathan Essex , Franca Fraternali , Jiali Gao , Josep Lluís Gelpí , Francesco Luigi Gervasio , Fernando Danilo Gonzalez-Nilo , Helmut Grubmüller , Marina Guenza , Horacio V. Guzman , Sarah Harris , Teresa Head-Gordon , Rigoberto Hernandez , Adam Hospital , Niu Huang , Xuhui Huang , Gerhard Hummer , Javier Iglesias-Fernández , Jan H. Jensen , Shantenu Jha , Wanting Jiao , William L. Jorgensen , Shina Caroline Lynn Kamerlin , Syma Khalid , Charles Laughton , Michael Levitt , Vittorio Limongelli , Erik Lindahl , Kresten Lindorff-Larsen , Sharon Loverde , Magnus Lundborg , Yun Lyna Luo , Francisco Javier Luque , Charlotte I. Lynch , Alexander MacKerell , Alessandra Magistrato , Siewert J. Marrink , Hugh Martin , J. Andrew McCammon , Kenneth Merz , Vicent Moliner , Adrian Mulholland , Sohail Murad , Athi N. Naganathan , Shikha Nangia , Frank Noe , Agnes Noy , Julianna Oláh , Megan O'Mara , Mary Jo Ondrechen , José N. Onuchic , Alexey Onufriev , Silvia Osuna , Anna R. Panchenko , Sergio Pantano , Carol Parish , Michele Parrinello , Alberto Perez , Tomas Perez-Acle , Juan R. Perilla , B. Montgomery Pettitt , Adriana Pietropalo , Jean-Philip Piquemal , Adolfo Poma , Matej Praprotnik , Maria J. Ramos , Pengyu Ren , Nathalie Reuter , Adrian Roitberg , Edina Rosta , Carme Rovira , Benoit Roux , Ursula Röthlisberger , Karissa Y. Sanbonmatsu , Tamar Schlick , Alexey K. Shaytan , Carlos Simmerling , Jeremy C. Smith , Yuji Sugita , Katarzyna Świderek , Makoto Taiji , Peng Tao , D. Peter Tieleman , Irina G. Tikhonova , Julian Tirado-Rives , Inaki Tunón , Marc W. Van Der Kamp , David Van der Spoel , Sameer Velankar , Gregory A. Voth , Rebecca Wade , Ariel Warshel , Valerie Vaissier Welborn , Stacey Wetmore , Travis J. Wheeler , Chung F. Wong , Lee-Wei Yang , Martin Zacharias , Modesto Orozco

Computer science is also an experimental science. This is particularly the case for parallel computing, which is in a total state of flux, and where experiments are necessary to substantiate, complement, and challenge theoretical modeling…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-08-19 Sascha Hunold , Jesper Larsson Träff

Data - arguably the most important product of worldwide materials research investment - are rarely shared. The small and biased proportion of results published are buried in plots and text licensed by journals. This situation wastes…

Materials Science · Physics 2023-02-27 LC Brinson , LM Bartolo , B Blaiszik , D Elbert , I Foster , A Strachan , PW Voorhees

With the emerging needs of creating fairness-aware solutions for search and recommendation systems, a daunting challenge exists of evaluating such solutions. While many of the traditional information retrieval (IR) metrics can capture the…

Information Retrieval · Computer Science 2022-03-31 Ruoyuan Gao , Yingqiang Ge , Chirag Shah