1. M. Lebeda, J. Drahokoupil, S. Kamba, Š. Svoboda, V. Smola, B. Dabrowski, P. Vlčák
    Lattice parameters and bulk modulus of SrTi1-xMnxO3 perovskites: A comparison of exchange-correlation functionals with experimental validation
    Computational Condensed Matter 43 (2025) e01030(1)-e01030(5).
  2. A. Maia, R. Vilarinho, P. Proschek, M. Lebeda, M. Mihalik Jr., M. Mihalik, P. Manuel, D.D. Khalyavin, S. Kamba, J. Agostinho Moreira
    Strong impact of low-level substitution of Mn by Fe on the magnetoelectric coupling in TbMnO3
    Physical Review Materials 8 (2024) 084405(1)-084405(10).
  3. M. Lebeda, J. Drahokoupil, L. Löbel, P. Vlčák
    k-means clustering in fingerprint-based configuration selection for fitting interatomic potentials
    Journal of Chemical Theory and Computation 20 (2024) 10676-10683.
  4. A. Maia, R. Vilarinho, C. Kadlec, M. Lebeda, M. Mihalik, Jr., M. Zentková, M. Mihalik, J. A. Moreira, S. Kamba
    Modifying the magnetoelectric coupling in TbMnO3 by low-level Fe3+ substitution
    Physical Review B 107 (2023) 104410(1)-104410(13).
  5. J. Mičová, Z. Remeš, A. Artemenko, M. Buryj, M. Lebeda, Y. Y. Chang
    Plasma treatment of Ga doped ZnO nanorods
    physica status solidi (a) (2022) 2100663(1)-2100663(8).