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Renata Sechi

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Theoretical and Computational Chemistry

Materials Funnel 2.0 - Data-driven hierarchical search for exploration of vast chemical spaces

Raul Ortega Ochoa, Bardi Benediktsson, Renata Sechi, Peter Bjørn Jørgensen, Arghya Bhowmik

Version 2 posted 27 September 2023

315

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Theoretical and Computational Chemistry

CURATOR: Building Robust Machine Learning Potentials for Atomistic Simulations Autonomously with Batch Active Learning

Xin Yang, Martin Hoffmann Petersen, Renata Sechi, William Sandholt Hansen, Sam Walton Norwood, Yogeshwaran Krishnan, Smobin Vincent, Jonas Busk, Francois Raymond J Cornet, Ole Winther, Juan Maria Garcia Lastra, Tejs Vegge, Heine Anton Hansen, Arghya Bhowmik

Version 1 posted 16 February 2024

856

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1

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