Photo of Milica Todorovic

Milica Todorovic

  • Otakaari 1, 02150 Espoo

20152020

Research output per year

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Personal profile

Artistic and research interests

I run the machine learning research projects of the Computational Electronic Structure Theory (CEST) group at Aalto University. We are interfacing machine learning algorithms with quantum mechanical simulations of materials with the aim to optimise material functionality. In particular, we seek to improve the performance of organic and inorganic components in solar cell devices. See more about our research on optimising organic/inorganic interfaces and data-driven materials science.

Education/Academic qualification

Doctor of Philosophy

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Research Output

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
  • 112 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

  • 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
  • 20 Citations (Scopus)
    158 Downloads (Pure)

    Projects

    Artificial Intelligence for Microscopic Structure Search

    Ghosh, K., Himanen, L., Rinke, P., Geurts, A., Li, J. & Todorovic, M.

    01/01/201831/12/2021

    Project: Academy of Finland: Other research funding

    COMP: Centre of Excellence in Computational Nanoscience

    Järvi, J., Li, J., Todorovic, M., Rinke, P. & Dvorak, M.

    01/01/201631/12/2017

    Project: Academy of Finland: Other research funding

    COMP: COMP: Centre of Excellence in Computational Nanoscience

    Dhar, A., Ollikainen, T., Peotta, S., Törmä, P., Li, J., Todorovic, M., Berseneva, N., Spijker, P. & Vanhala, T.

    01/01/201531/12/2017

    Project: Academy of Finland: Other research funding

    Activities

    • 3 Organization of a workshop, panel, session or tutorial

    Young Researcher’s Workshop on Machine Learning for Materials Science

    Patrick Rinke (Organiser), Milica Todorovic (Member), Adam Foster (Member)
    6 May 201910 May 2019

    Activity: Participating in or organising an event typesOrganization of a workshop, panel, session or tutorial

    International Workshop on Machine Learning for Materials Science

    Patrick Rinke (Member), Milica Todorovic (Member), Adam Foster (Member), Filippo Federici Canova (Member)
    3 May 20184 May 2018

    Activity: Participating in or organising an event typesOrganization of a workshop, panel, session or tutorial

    Interfacing Machine Learning and Experimental Methods for Surface Structures

    Milica Todorovic (Member), Patrick Rinke (Member)
    11 Jul 201813 Jul 2018

    Activity: Participating in or organising an event typesOrganization of a workshop, panel, session or tutorial