An automated approach for developing neural network interatomic potentials with FLAME

Computational Materials Science, vol. 197, pp. 110567

Authors 5

1. Hossein Mirhosseini corresponding

   Paderborn University

   Affiliation as printed

   Dynamics of Condensed Matter and Center for Sustainable Systems Design, Chair of Theoretical Chemistry, University of Paderborn, 33098 Warburger Str. 100, Paderborn, Germany

2. Hossein Tahmasbi Aachen Leiden Institute of Chemistry, Gorlaeus Laboratories

   Leiden University

   Affiliation as printed

   Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, P.O. Box 9502, 2300 RA Leiden, The Netherlands

3. Sai Ram Kuchana

   Paderborn University

   Affiliation as printed

   Dynamics of Condensed Matter and Center for Sustainable Systems Design, Chair of Theoretical Chemistry, University of Paderborn, 33098 Warburger Str. 100, Paderborn, Germany

4. S. Alireza Ghasemi

   Paderborn University

   Affiliation as printed

   Dynamics of Condensed Matter and Center for Sustainable Systems Design, Chair of Theoretical Chemistry, University of Paderborn, 33098 Warburger Str. 100, Paderborn, Germany

5. Thomas D. Kühne

   Paderborn University

   Affiliation as printed

   Dynamics of Condensed Matter and Center for Sustainable Systems Design, Chair of Theoretical Chemistry, University of Paderborn, 33098 Warburger Str. 100, Paderborn, Germany