Milica Todorovic profile picture
Milica
Todorovic
Assistant Professor, Materials Engineering

Contact

+358 29 450 3619
+358 50 535 9519

Links

ORCID record
ResearcherID K-3350-2014
Google Scholar
ORCID

Areas of expertise

computational materials science
first principles simulations
hybrid organic/inorganic materials
surface science
artificial intelligence
data science
Bayesian optimization

Teaching

I teach computational science courses for the MSc programme in Materials Engineering. I also teach the interdisciplinary MSc course "Machine Learning for Materials Science".  

Research

My research focuses of first-principles simulations of advanced materials, with the objective to optimize their functional properties and performance in devices. The latest algorithms from computer science and artificial intelligence allow me to pursue data-smart approaches to materials design. In addition to materials science, physics and chemistry research, I have implemented data-driven solutions across disciplines, from aerosol research to chemical engineering bio-based materials, from computation to experiment. 

Publications

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Roadmap on Machine learning in electronic structure (2022)

Electronic Structure
Kulik H.J., Hammerschmidt T., Schmidt J., Botti S., Marques M.A.L., Boley M., Scheffler M., Todorović M., Rinke P., Oses C., Smolyanyuk A., Curtarolo S., Tkatchenko A., Bartók A.P., Manzhos S., Ihara M., Carrington T., Behler J., Isayev O., Veit M., Grisafi A., Nigam J., Ceriotti M., Schütt K.T., Westermayr J., Gastegger M., Maurer R.J., Kalita B., Burke K., Nagai R., Akashi R., Sugino O., Hermann J., Noé F., Pilati S., Draxl C., Kuban M., Rigamonti S., Scheidgen M., Esters M., Hicks D., Toher C., Balachandran P.V., Tamblyn I., Whitelam S., Bellinger C., Ghiringhelli L.M.
(Vertaisarvioitu alkuperäisartikkeli tai data-artikkeli tieteellisessä aikakauslehdessä (A1))

Molecular Conformer Search with Low-Energy Latent Space (2022)

Journal of Chemical Theory and Computation
Guo Xiaomi, Fang Lincan, Xu Yong, Duan Wenhui, Rinke Patrick, Todorović Milica, Chen Xi
(Vertaisarvioitu alkuperäisartikkeli tai data-artikkeli tieteellisessä aikakauslehdessä (A1))
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