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
- Active learning of molecular data for task-specific objectivesActive learning for data-efficient optimisation of materials and processesDecoding Surface Adsorption Chemistry with Active LearningVisual representation of materials and their properties  (2025)  
- Journal of Chemical Physics
 
(A1 Vertaisarvioitu alkuperäisartikkeli tieteellisessä lehdessä ) - 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 DataACS Applied Materials and Interfaces
 
(A1 Vertaisarvioitu data-artikkeli tieteellisessä lehdessä) - Exploring noncollinear magnetic energy landscapes with Bayesian optimizationFrom Text to Graphs—Visualizing Materials Space with ForceAtlas2 and MEGnet  (2025)  
- Digital Discovery
 
(A1 Vertaisarvioitu alkuperäisartikkeli tieteellisessä lehdessä ) - Active learning for data-efficient optimisation of functional materialsData digitalization strategies for AI-driven experimentation  (2024)   Todorović, Milica
(Abstrakti) -   (2024)   Todorović, MilicaAbstrakti
 - Active Learning for Surface Adsorption ChemistryThe search for sparse data in molecular datasets: Application of active learning to identify extremely low volatile organic compounds  (2024)  11th Triennial Congress of the International Society for Theoretical Chemical Physics Todorović, Milica
(Abstrakti) - Active Learning of Microstructure-Property Relations in Hybrid Materials  (2024)   Todorović, Milica
(Abstrakti) -   (2024)   Sipilä, Matilda; Mehryary, Farrokh; Pyysalo, Sampo; Ginter, Filip; Todorović Milica
(Abstrakti) -   (2024)   Zniber, Mohammed; Todorović, Milica
(Konferenssiposteri) -   (2024)   Adhyatma, Abdurrahman; Das, Mandira; Lin, Jack; Prisle, Nønne; Todorović, Milica
(Konferenssiposteri) -   (2024)  The 10th International Symposium on Surface Science (ISSS-10) Todorović, Milica
(Abstrakti) -   (2024)  
- ACS Omega
 
(A1 Vertaisarvioitu alkuperäisartikkeli tieteellisessä lehdessä ) -   (2024)   Galica, Tomasz; Sipilä, Matilda; Todorović, Milica
(Abstrakti) - High-Yield WS2 Synthesis through Sulfurization in Custom-Modified Atmospheric Pressure Chemical Vapor Deposition Reactor, Paving the Way for Selective NH3 Vapor DetectionQuestion Answering models for information extraction from perovskite materials science literature   (2024)  
(A1 Vertaisarvioitu alkuperäisartikkeli tieteellisessä lehdessä ) -   (2024)  2024 MRS Fall Meeting and Exhibit Sipilä, Matilda; Mehryary, Farrokh; Pyysalo, Sampo; Ginter, Filip, Todorović, Milica
(Abstrakti) - Structural Disorder by Octahedral Tilting in Inorganic Halide Perovskites: New Insight with Bayesian Optimization  (2024)  
- Small Structures
 
(A1 Vertaisarvioitu alkuperäisartikkeli tieteellisessä lehdessä ) -   (2024)  
- Journal of Aerosol Science
 
(A1 Vertaisarvioitu alkuperäisartikkeli tieteellisessä lehdessä ) -   (2024)   Galica, Tomasz; Sipilä, Matilda; Todorović, Milica
(Konferenssiposteri) - XPS spectra of atmospheric aerosols: A combined DFT and ML approach   (2024)   Adhyatma, Abdurrahman; Das, Mandira; Lin, Jack; Prisle, Nønne; Todorović, Milica
(Konferenssiposteri) 



