Milica Todorovic

Research Fellow

Research outputs

  1. 2019
  2. Published

    Chemical diversity in molecular orbital energy predictions with kernel ridge regression

    Stuke, A., Todorović, M., Rupp, M., Kunkel, C., Ghosh, K., Himanen, L. & Rinke, P., 28 May 2019, In : Journal of Chemical Physics. 150, 20, p. 1-13 204121.

    Research output: Contribution to journalArticleScientificpeer-review

  3. Published

    Deep Learning Spectroscopy: Neural Networks for Molecular Excitation Spectra

    Ghosh, K., Stuke, A., Todorović, M., Jørgensen, P. B., Schmidt, M. N., Vehtari, A. & Rinke, P., 3 May 2019, In : Advanced Science. 6, 9, p. 1-7 7 p., 1801367.

    Research output: Contribution to journalArticleScientificpeer-review

  4. Published

    Bayesian inference of atomistic structure in functional materials

    Todorović, M., Gutmann, M. U., Corander, J. & Rinke, P., 18 Mar 2019, In : npj Computational Materials. 5, 1, p. 1-7 7 p., 35.

    Research output: Contribution to journalArticleScientificpeer-review

  5. Published

    Gold diggers: Altered reconstruction of the gold surface by physisorbed aromatic oligomers

    Scarbath-Evers, L. K., Todorović, M., Golze, D., Hammer, R., Widdra, W., Sebastiani, D. & Rinke, P., 17 Jan 2019, In : Physical Review Materials. 3, 1, p. 1-6 011601.

    Research output: Contribution to journalArticleScientificpeer-review

  6. Published

    First principles calculations on the stoichiometric and defective (101) anatase surface and upon hydrogen and H2Pc adsorption: The influence of electronic exchange and correlation and of basis set approximations

    Martínez-Casado, R., Todorović, M., Mallia, G., Harrison, N. M. & Pérez, R., 1 Jan 2019, In : Frontiers in Chemistry. 7, MAR, p. 1-12 220.

    Research output: Contribution to journalArticleScientificpeer-review

  7. 2018
  8. Published

    Pentacene/TiO2 Anatase Hybrid Interface Study by Scanning Probe Microscopy and First Principles Calculations

    Todorović, M., Stetsovych, O., Moreno, C., Shimizu, T. K., Custance, O. & Pérez, R., 5 Sep 2018, In : ACS Applied Materials and Interfaces. 10, p. 34718–34726 40.

    Research output: Contribution to journalArticleScientificpeer-review

  9. 2017
  10. Published

    Substitutional carbon doping of free-standing and Ru-supported BN sheets: A first-principles study

    Berseneva, N., Komsa, H. P., Vierimaa, V., Björkman, T., Fan, Z., Harju, A., Todorović, M., Krasheninnikov, A. V. & Nieminen, R. M., 4 Sep 2017, In : Journal of Physics Condensed Matter. 29, 41, p. 1-8 415301.

    Research output: Contribution to journalArticleScientificpeer-review

ID: 102797