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Layla Martin-Samos

affiliation not provided to SSRN

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Partn: A Plugin Implementation of the Activation Relaxation Technique Nouveau Hijacking a Minimisation Algorithm

Number of pages: 15 Posted: 16 Feb 2023
Matic Poberžnik, Miha Gunde, Nicolas Salles, Antoine Jay, Anne HEMERYCK, Nicolas Richard, Normand Mousseau and Layla Martin-Samos
Jozef Stefan Institute, affiliation not provided to SSRN, Total Administrative Services Corporation (TASC) - Istituto Officina dei Materiali, École Polytechnique, Paris - LSI, Laboratoire des Solides Irradiés, affiliation not provided to SSRN, affiliation not provided to SSRN, University of Montreal - Département de physique and Regroupement québécois sur les matériaux de pointe and affiliation not provided to SSRN
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saddle point, potential energy surface, transition state, Chemical reaction