Activation–Relaxation Technique: An efficient way to find minima and saddle points of potential energy surfaces-Reference-Cited by-同舟云学术

Activation–Relaxation Technique: An efficient way to find minima and saddle points of potential energy surfaces

Published:2022-06 Issue: Volume:209 Page:111363
ISSN:0927-0256
Container-title:Computational Materials Science
language:en
Short-container-title:Computational Materials Science

Author:

Jay Antoine,Gunde Miha^ORCID,Salles Nicolas^ORCID,Poberžnik Matic^ORCID,Martin-Samos Layla^ORCID,Richard Nicolas,Gironcoli Stefano de^ORCID,Mousseau Normand^ORCID,Hémeryck Anne

Publisher

Elsevier BV

Subject

Computational Mathematics,General Physics and Astronomy,Mechanics of Materials,General Materials Science,General Chemistry,General Computer Science

Reference29 articles.

1. Frequency factors and isotope effects in solid state rate processes;Vineyard;J. Phys. Chem. Sol.,1957

2. Current status of transition-state theory;Truhlar;J. Phys. Chem.,1996

3. Event-based relaxation of continuous disordered systems;Barkema;Phys. Rev. Lett.,1996

4. Dynamics of lennard-jones clusters: A characterization of the activation-relaxation technique;Malek;Phys. Rev. E,2000

5. Sampling the diffusion paths of a neutral vacancy in silicon with quantum mechanical calculations;El-Mellouhi;Phys. Rev. B,2004

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