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High-throughput computational screening of polymers offers a powerful way to address the imbalance between the vast number of polymers synthesised for diverse applications and the relatively small subset that can be studied using atomistic…

Materials Science · Physics 2026-03-12 Lois Smith , Samuel Ericson , Vittoria Fantauzzo , Chin Yong , Paola Carbone , Alessandro Troisi

Modern redshift surveys enable the identification of large samples of galaxies in pairs, taken from many different environments. Meanwhile, cosmological simulations allow a detailed understanding of the statistical properties of the…

Cosmology and Nongalactic Astrophysics · Physics 2009-10-01 Elizabeth J. Barton , Christopher Q. Trinh , James S. Bullock , Shelley A. Wright

Much of the science case for the next generation of deep, wide-field optical/infrared surveys has been driven by the further study of dark energy. This is a laudable goal (and the subject of a companion white paper by Zhan et al.). However,…

Infrastructure as a service clouds hide the complexity of maintaining the physical infrastructure with a slight disadvantage: they also hide their internal working details. Should users need knowledge about these details e.g., to increase…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-03-20 Gabor Kecskemeti , Zsolt Nemeth , Attila Kertesz , Rajiv Ranjan

Joint studies of imaging and spectroscopic samples, informed by theory and simulations, offer the potential for comprehensive tests of the cosmological model over redshifts z<1.5. Spectroscopic galaxy samples at these redshifts can be…

Cosmology and Nongalactic Astrophysics · Physics 2022-03-15 Kyle Dawson , Andrew Hearin , Katrin Heitmann , Mustapha Ishak , Johannes Ulf Lange , Martin White , Rongpu Zhou

Cloud computing offers an opportunity to run compute-resource intensive climate models at scale by parallelising model runs such that datasets useful to the exoplanet community can be produced efficiently. To better understand the…

Simulations of galaxy formation follow the gravitational and hydrodynamical interactions between gas, stars and dark matter through cosmic time. The huge dynamic range of such calculations severely limits strong scaling behaviour of the…

Instrumentation and Methods for Astrophysics · Physics 2015-08-04 Tom Theuns , Aidan Chalk , Matthieu Schaller , Pedro Gonnet

Scientific research in many fields routinely requires the analysis of large datasets, and scientists often employ workflow systems to leverage clusters of computers for their data analysis. However, due to their size and scale, these…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-06-05 Lauritz Thamsen , Yehia Elkhatib , Paul Harvey , Syed Waqar Nabi , Jeremy Singer , Wim Vanderbauwhede

Studies of galaxy clusters provide stringent constraints on models of structure formation. Provided that selection effects are under control, large X-ray surveys are well suited to derive cosmological parameters, in particular those…

The formation of biomolecular materials via dynamical interfacial processes such as self-assembly and fusion, for diverse compositions and external conditions, can be efficiently probed using ensemble Molecular Dynamics. However, this…

This paper presents a systematic literature review focusing on the application of machine learning techniques for deriving observational constraints in cosmology. The goal is to evaluate and synthesize existing research to identify…

Cosmology and Nongalactic Astrophysics · Physics 2025-10-14 Luis Rojas , Sebastián Espinoza , Esteban González , Carlos Maldonado , Fei Luo

The scientific community is presently witnessing an unprecedented growth in the quality and quantity of data sets coming from simulations and real-world experiments. To access effectively and extract the scientific content of such…

Instrumentation and Methods for Astrophysics · Physics 2010-04-09 Zhefan Jin , Mel Krokos , Marzia Rivi , Claudio Gheller , Klaus Dolag , Martin Reinecke

For many macromolecular systems the accurate sampling of the relevant regions on the potential energy surface cannot be obtained by a single, long Molecular Dynamics (MD) trajectory. New approaches are required to promote more efficient…

Computational Engineering, Finance, and Science · Computer Science 2016-06-02 Vivekanandan Balasubramanian , Iain Bethune , Ardita Shkurti , Elena Breitmoser , Eugen Hruska , Cecilia Clementi , Charles Laughton , Shantenu Jha

Air components, including UAVs, planes, balloons, and satellites have been widely utilized since the fixed capacity of ground infrastructure cannot meet the dynamic load of the users. However, since those air components should be…

Networking and Internet Architecture · Computer Science 2024-09-04 Baris Yamansavascilar , Atay Ozgovde , Cem Ersoy

Cosmological simulations are a powerful tool to advance our understanding of galaxy formation and many simulations model key properties of real galaxies. A question that naturally arises for such simulations in light of high-quality…

Astrophysics of Galaxies · Physics 2025-09-10 Lingyi Zhou , Stefan T. Radev , William H. Oliver , Aura Obreja , Zehao Jin , Tobias Buck

Scientific workflows are a cornerstone of modern scientific computing. They are used to describe complex computational applications that require efficient and robust management of large volumes of data, which are typically stored/processed…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-06-01 Tainã Coleman , Henri Casanova , Loïc Pottier , Manav Kaushik , Ewa Deelman , Rafael Ferreira da Silva

The current generation of large galaxy surveys will test the cosmological model by combining multiple types of observational probes. Realising the statistical promise of these new datasets requires rigorous attention to all aspects of…

The growing complexity and scale of scientific workflows in high performance computing (HPC) environments have led to significant challenges in managing energy consumption without compromising computational performance. Traditional…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-25 Ali Zahir , Ashiq Anjum , Mark Wilkinson , Jeyan Thiyagalingam

In recent years the possibility of measuring the temporal change of radial and transverse position of sources in the sky in real time have become conceivable thanks to the thoroughly improved technique applied to new astrometric and…

Cosmology and Nongalactic Astrophysics · Physics 2012-11-26 Claudia Quercellini , Luca Amendola , Amedeo Balbi , Paolo Cabella , Miguel Quartin