Photo of Milica Todorovic

Milica Todorovic

  • Otakaari 1, 02150 Espoo

20152020

Research output per year

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Research Output

2020

Atomic structures and orbital energies of 61,489 crystal-forming organic molecules

Stuke, A., Kunkel, C., Golze, D., Todorović, M., Margraf, J. T., Reuter, K., Rinke, P. & Oberhofer, H., 1 Dec 2020, In : Scientific Data. 7, 1, 11 p., 58.

Research output: Contribution to journalArticleScientificpeer-review

Open Access
File
116 Downloads (Pure)

Projective Preferential Bayesian Optimization

Mikkola, P., Todorovic, M., Järvi, J., Rinke, P. & Kaski, S., 1 Jun 2020, (Accepted/In press). 9 p.

Research output: Contribution to conferencePaperScientificpeer-review

2019

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

Open Access
File
12 Citations (Scopus)
128 Downloads (Pure)

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

Open Access
File
4 Citations (Scopus)
1 Downloads (Pure)

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

Open Access
File
22 Citations (Scopus)
158 Downloads (Pure)

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

Open Access
File
1 Citation (Scopus)
50 Downloads (Pure)

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

Open Access
File
2 Citations (Scopus)
93 Downloads (Pure)
2018

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

Open Access
File
1 Citation (Scopus)
82 Downloads (Pure)
2017

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

6 Citations (Scopus)