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Cited article:

Ionic Transport in Doped Solid Electrolytes by Means of DFT Modeling and ML Approaches: A Case Study of Ti-Doped KFeO2

Roman A. Eremin, Pavel N. Zolotarev, Andrey A. Golov, Nadezhda A. Nekrasova and Tilmann Leisegang
The Journal of Physical Chemistry C 123 (49) 29533 (2019)
https://doi.org/10.1021/acs.jpcc.9b07535

A combined DFT/topological analysis approach for modeling disordered solid electrolytes

Pavel Zolotarev, Nadezhda Nekrasova, Andrey Golov, et al.
EPJ Web of Conferences 201 02005 (2019)
https://doi.org/10.1051/epjconf/201920102005

Comparative analysis of DFT-vdW vs. Coulomb energies for configurational space of layered cathode material at different delithiation levels

Pavel Zolotarev, Roman Eremin, I. Bobrikov, et al.
EPJ Web of Conferences 201 02004 (2019)
https://doi.org/10.1051/epjconf/201920102004