Examples
Characterizing the kinetics of atomic diffusion using the Activation Relaxation Technique

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Examples
Characterizing the kinetics of atomic diffusion using the Activation Relaxation Technique

Authors : Antoine JAY, Normand MOUSSEAU, Nicolas SALLES, Miha GUNDE, Matic POBERŽNIK, Marie BRUT, Layla MARTIN-SAMOS, Nicolas RICHARD, Anne HÉMERYCK

Publication date: December 10, 2023 | Lire en français

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4. Examples

The ARTn algorithm has already demonstrated its ability to explore PES associated with a wide variety of systems described by empirical potentials, such as impurities. , molecules

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