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Expanding the boundaries of ligand–target modeling by exascale calculations2021 Wiley Interdisciplinary Reviews Computational Molecular Science article Computer Science Computational Drug Discovery Methods Open access
Viacheslav Bolnykh, Giulia Rossetti, Ursula Röthlisberger, Paolo Carloni
19citations -
Mixed-Precision GPU Acceleration of RTE-RRTMGP-CPP: Towards Radiative Transfer Simulations on Exascale Supercomputers2026 Procedia Computer Science conference-paper Computer Science Parallel Computing and Optimization Techniques Open access
Stijn Heldens, Alessio Sclocco, Gijs van den Oord, Ben van Werkhoven, Chiel van Heerwaarden, Erwan Raffin, +1 more
0citations -
t8code - modular adaptive mesh refinement in the exascale era2025 The Journal of Open Source Software article Computer Science Parallel Computing and Optimization Techniques Open access
Johannes Holke, Johannes Markert, David Knapp, Sandro Elsweijer, Niklas Böing, Ioannis Lilikakis, +18 more
4citations -
Bridging HPC Communities through the Julia Programming Language2022 arXiv (Cornell University) preprint Computer Science Parallel Computing and Optimization Techniques Open access
Valentin Churavy, William F. Godoy, Carsten Bauer, Hendrik Ranocha, Michael Schlottke‐Lakemper, Ludovic Räss, +6 more
18citations -
EXCELLERATP2 D3.2 First Updated Report on Exa-Enabling Methodologies2026 Zenodo (CERN European Organization for Nuclear Research) article Computer Science Parallel Computing and Optimization Techniques Open access
Ansgar Niemöller, Matthias H. Meinke, Joeffrey Legaux, Mohamed Ibrahim Ghenai, Michael Wagner, Tufan Arslan, +12 more
0citations -
First Experiences in Performance Benchmarking with the New SPEChpc 2021 Suites - Measurement Data2021 Zenodo (CERN European Organization for Nuclear Research) dataset Computer Science Parallel Computing and Optimization Techniques Open access
Holger Brunst, Sunita Chandrasekaran, Florina M. Ciorba, Nick Hagerty, Robert Henschel, Guido Juckeland, +3 more
1citations -
First Experiences in Performance Benchmarking with the New SPEChpc 2021 Suites - Measurement Data2021 Zenodo (CERN European Organization for Nuclear Research) dataset Computer Science Parallel Computing and Optimization Techniques Open access
Holger Brunst, Sunita Chandrasekaran, Florina M. Ciorba, Nick Hagerty, Robert Henschel, Guido Juckeland, +3 more
0citations -
Enabling Hyperparameter-Tuning of AI Models for Healthcare using the CoE RAISE Unique AI Framework for HPC2023 MIPRO ICT and Electronics Convention (MIPRO) conference-paper Computer Science Machine Learning and Data Classification
Morris Riedel, Chadi Barakat, Sebastian Johannes Fritsch, Andreas Lintermann, Andreas Schuppert, Sigurður Brynjólfsson, +2 more
1citations -
Scalable construction of spiking neural networks using up to thousands of GPUs2026 Neuromorphic Computing and Engineering article Computer Science Parallel Computing and Optimization Techniques Open access
Bruno Golosio, Gianmarco Tiddia, José Villamar, L. Pontisso, Luca Sergi, Francesco Simula, +7 more
0citations -
Refining Ligand Poses in RNA/Ligand Complexes of Pharmaceutical Relevance: A Perspective by QM/MM Simulations and NMR Measurements2025 The Journal of Physical Chemistry Letters article Computer Science Computational Drug Discovery Methods Open access
Gia Linh Hoang, Manuel Röck, Aldo Tancredi, Thomas Magauer, Davide Mandelli, Jörg Bernhard Schulz, +4 more
4citations
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