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Article Dans Une Revue Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms Année : 2020

A DFT-driven multifidelity framework for constructing efficient energy models for atomic-scale simulations

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Matériaux

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hal-03159191 , version 1 (04-03-2021)

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Luca Messina, Alessio Quaglino, Alexandra Goryaeva, Mihai-Cosmin Marinica, Christophe Domain, et al.. A DFT-driven multifidelity framework for constructing efficient energy models for atomic-scale simulations. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 2020, 483, pp.15-21. ⟨10.1016/j.nimb.2020.09.011⟩. ⟨hal-03159191⟩
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