Research output per year
Research output per year
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.
Expertise related to UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
Education/Academic qualification
Doctoral degree, Other, University of Oxford
Award Date: 19 Jul 2008
Fingerprint
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Collaborations and top research areas from the last five years
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
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Exploring the Conformers of an Organic Molecule on a Metal Cluster with Bayesian Optimization
Fang, L., Guo, X., Todorovic, M., Rinke, P. & Chen, X., 13 Feb 2023, In: JOURNAL OF CHEMICAL INFORMATION AND MODELING. 63, 3, p. 745-752 8 p.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile13 Downloads (Pure) -
Compositional engineering of perovskites with machine learning
Laakso, J., Todorovic, M., Li, J., Zhang, G-X. & Rinke, P., 7 Nov 2022, In: Physical Review Materials. 6, 11, p. 1-10 10 p., 113801.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile2 Citations (Scopus)168 Downloads (Pure) -
Machine learning as a tool to engineer microstructures: Morphological prediction of tannin-based colloids using Bayesian surrogate models
Jin, S. A., Kämäräinen, T., Rinke, P., Rojas, O. J. & Todorovic, M., 2022, In: MRS Bulletin. 47, 1, p. 29-37 9 p.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile1 Citation (Scopus)35 Downloads (Pure) -
Machine learning sparse tight-binding parameters for defects
Schattauer, C., Todorović, M., Ghosh, K., Rinke, P. & Libisch, F., 20 May 2022, In: npj Computational Materials. 8, 1, p. 1-11 11 p., 116.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile4 Citations (Scopus)86 Downloads (Pure) -
Roadmap on Machine learning in 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., & 27 others, 1 Jun 2022, In: Electronic Structure. 4, 2, p. 1-60 60 p., 023004.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile42 Citations (Scopus)55 Downloads (Pure)
Projects
- 3 Finished
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Artificial Intelligence for Microscopic Structure Search
Rinke, P., Lehto, E., Geurts, A., Ghosh, K., Himanen, L., Li, J., Todorovic, M. & Homm, H.
01/01/2018 → 31/12/2021
Project: Academy of Finland: Other research funding
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COMP: Centre of Excellence in Computational Nanoscience
Järvi, J., Li, J., Rinke, P., Levard, H., Dvorak, M. & Todorovic, M.
01/01/2016 → 31/12/2017
Project: Academy of Finland: Other research funding
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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., Laine, E., Ma, L., Derom, S., Jonsson, E. & Hiltunen, T.
01/01/2015 → 31/12/2017
Project: Academy of Finland: Other research funding
Datasets
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KRR for Atmospheric Molecules
Lumiaro, E. (Creator), Todorovic, M. (Creator), Kurten, T. (Creator), Vehkamäki, H. (Creator) & Rinke, P. (Creator), Zenodo, 2021
DOI: 10.5281/zenodo.4462447, https://zenodo.org/record/4462448
Dataset
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Atmospheric C10 dataset
Lumiaro, E. (Creator), Todorovic, M. (Creator), Rinke, P. (Creator), Kurten, T. (Creator) & Vehkamäki, H. (Creator), Zenodo, 26 Nov 2020
Dataset
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Exploring the conformers of an organic adsorbate on a metal cluster with Bayesian optimization
Fang, L. (Creator), Guo, X. (Contributor), Todorovic, M. (Contributor), Rinke, P. (Contributor) & Chen, X. (Contributor), Zenodo, 20 Aug 2022
DOI: 10.5281/zenodo.7012914, https://zenodo.org/record/7012914
Dataset
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CsPb(Cl/Br)3 DFT Dataset
Laakso, J. (Creator), Todorovic, M. (Contributor), Li, J. (Contributor), Zhang, G. (Contributor) & Rinke, P. (Contributor), Zenodo, 6 Oct 2022
DOI: 10.5281/zenodo.7153019, https://zenodo.org/record/7153019
Dataset
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(1S)-camphor on Cu(111), 6D surface adsorbate search with BOSS
Järvi, J. (Creator), Todorovic, M. (Creator), Rinke, P. (Creator), Alldritt, B. (Contributor), Krejci, O. (Contributor) & Liljeroth, P. (Other), Zenodo, 2021
DOI: 10.5281/zenodo.4680466, https://doi.org/10.5281/zenodo.4680467
Dataset
Activities
- 3 Organization of a workshop, panel, session, tutorial or event
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Young Researcher’s Workshop on Machine Learning for Materials Science
Patrick Rinke (Organiser), Milica Todorovic (Member) & Adam Foster (Member)
6 May 2019 → 10 May 2019Activity: Participating in or organising an event types › Organization of a workshop, panel, session, tutorial or event
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Interfacing Machine Learning and Experimental Methods for Surface Structures
Milica Todorovic (Member) & Patrick Rinke (Member)
11 Jul 2018 → 13 Jul 2018Activity: Participating in or organising an event types › Organization of a workshop, panel, session, tutorial or event
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International Workshop on Machine Learning for Materials Science
Patrick Rinke (Member), Milica Todorovic (Member), Adam Foster (Member) & Filippo Federici Canova (Member)
3 May 2018 → 4 May 2018Activity: Participating in or organising an event types › Organization of a workshop, panel, session, tutorial or event
Press/Media
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Tutkijat opettivat Artist-tekoälyä 132 000 molekyylin tietoaineistolla pari viikkoa - nopeuttaa huomattavasti uuden teknologian kehitystä
01/02/2019
1 item of Media coverage
Press/Media: Media appearance
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Suomessa kehitetty tekoäly ymmärtää, miten molekyyli reagoi valoon
Milica Todorovic & Patrick Rinke
01/02/2019
1 item of Media coverage
Press/Media: Media appearance