"Scaling Ensembles of Data-Intensive Quantum Chemical Calculations for ..."

Kshitij Mehta et al. (2024)

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DOI: 10.1109/IPDPSW63119.2024.00175

access: closed

type: Conference or Workshop Paper

metadata version: 2024-08-07

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Kshitij Mehta, Massimiliano Lupo Pasini, Stephan Irle, Pilsun Yoo, Frédéric Suter, Dmitry Ganyushin, Scott Klasky:
Scaling Ensembles of Data-Intensive Quantum Chemical Calculations for Millions of Molecules. IPDPS (Workshops) 2024: 1047-1056

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