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EMMC and ICAMS present the CASE STUDY

Data-driven Methods for Atomistic Simulations

Interview of Dr Yury Lysogorskiy, ICAMS, Ruhr-Universität Bochum

Writers: Alexandra Simperler and Gerhard Goldbeck (Goldbeck Consulting)

The case is based on Dr Lysogorskiy’s papers “Transferability of interatomic potentials for molybdenum and silicon”, Y. Lysogorskiy, T. Hammerschmidt, J. Janssen, J. Neugebauer and R. Drautz; Modelling Simul. Mater. Sci. Eng. 27 (2019) 025007 (DOI:

and “pyiron: An integrated development environment for computational materials science”, J. Janssen, S. Surendralal, Y. Lysogorskiy,
M. Todorova, T. Hickel, R. Drautz, and J. Neugebauer; Computational Materials Science 163 (2019) 24-36 (DOI:

thumbnail of EMMC_CASESTUDY_YLysogorskiy



This work has received funding via the EMMC-CSA project
from the European Union‘s Horizon 2020 research and innovation programme
under Grant Agreement No 723867


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