Milica Todorovic
milica.todorovic@utu.fi +358 29 450 3619 +358 50 535 9519 Työhuone: 302 My phone number is +358 50 331 0029. ORCID-tunniste: https://orcid.org/0000-0003-0028-0105 |
computational materials science; first principles simulations; hybrid organic/inorganic materials; surface science; artificial intelligence; data science; Bayesian optimization
I lead the Materials Informatics Laboratory group at UTU. My research combines aritifical intelligence algorithms and first-principles simulations with the objective to optimize functional materials and their performance in devices. At MIL, we purpuse data-driven solutions across disciplines, from aerosol research to chemical engineering bio-based materials, from computation to experiment.
Service:
Vice-director of Sustainable Materials and Manufacturing (SUSMAT) UTU profiling area
Vice-chair of COST Action CA22154 - Data-driven Applications towards the Engineering of functional Materials: an Open Network (DAEMON)
Vice-leader of Human-Centric Artificial Intelligence for Sustainable Future (HAIF), Doctoral Training Network
Co-lead of Finnish Centre for AI (FCAI) Highlight E: Data-driven design of materials
Head of the Modern Industrial Materials MSc track
MTEK0023 Data Visualisation and Analysis
MTEK0023 Simulations and New Materials
MTEK0024 Machine Learning for Materials Science
- Journal research data policies in materials science (2026)
- Digital Discovery
(A2 Vertaisarvioitu katsausartikkeli tieteellisessä lehdessä) - Software interoperability in electronic structure methods for atomistic materials simulations (2026)
- Computational Materials Science
(A1 Vertaisarvioitu alkuperäisartikkeli tieteellisessä lehdessä ) - Tailoring Photochromism Beyond Human Eye Visibility: On/Off Switchable NIR Absorption in an Aluminosilicate (2026)
- Angewandte Chemie International Edition
(A1 Vertaisarvioitu alkuperäisartikkeli tieteellisessä lehdessä ) - Active learning of molecular data for task-specific objectives (2025)
- Journal of Chemical Physics
(A1 Vertaisarvioitu alkuperäisartikkeli tieteellisessä lehdessä ) - AI-driven Optimization of Antireflective Coatings (2025) Zniber, Mohammed; Honkanen, Kasper; Todorović, Milica
(Konferenssiposteri) - AI-driven Optimization of Antireflective Coatings (2025) Zniber, Mohammed; Honkanen, Kasper; Todorović, Milica
(Konferenssiposteri) - An innovative data-driven approach to the design and optimization of battery recycling processes (2025)
- Chemical Engineering Journal
(A1 Vertaisarvioitu alkuperäisartikkeli tieteellisessä lehdessä ) - Annotated textual dataset PV600 of perovskite bandgaps for information extraction from literature (2025)
- Scientific Data
(A1 Vertaisarvioitu data-artikkeli tieteellisessä lehdessä) - Bayesian optimization of materials and molecular properties (2025) Todorović, Milica
(Abstrakti) - Decoding Aerosol Surface Chemistry: Insights from XPS Spectra via DFT and Machine Learning (2025) Das, Mandira; Adhyatma, Abdurrahman; Lin, Jack; Prisle, Nønne; Todorović, Milica
(Abstrakti)



