Events

2025

  • MRS Fall Meeting 2025, Multi-fidelity active learning structure search, 30.11.-5.12.2025, Boston, USA (Milica Todorović, invited speaker)
  • SusML: Towards sustainable exploration of chemical spaces with machine learning, 29.09-1.10.2025, Dresden, DE (Milica Todorović, organiser)
  • 2025 Fall Meeting of the European Materials Research Society (E-MRS), Computational materials engineering with active learning, 15-18.9.2025, Warsaw, PL (Milica Todorović, invited speaker)
  • Psi-k Conference, Multi-fidelity Bayesian optimisation structure search, 25-28.8.2025, Lausanne, CH (Milica Todorović, invited speaker)
  • ML4MatSci: Hands-on Machine Learning for Research in Materials Sciences, Deep Learning for Spectroscopy, 22-24.7.2025, Aschaffenburg, DE (Milica Todorović, invited speaker)
  • Strategic Scientific Workshop Aarhus Bayreuth, Active Learning for Materials Optimisation, 30.6-4.7.2025, Bayreuth, DE (Milica Todorović, invited speaker)
  • Atomistic Modeling Center (AMC) seminar, Computational materials engineering with active learning, 27.6.2025, Munich, DE (Milica Todorović, invited speaker)
  • Virtual Laboratory for Molecular Level Atmospheric Transformations (VILMA) seminar, Decoding the surface modifications of aerosol particles through experiments, simulations and data science, 8.5.2025, Helsinki, FI (Milica Todorović)
  • School on Machine Learning for Molecules and Materials Research, 9-13.6.2025, Zadar, HR
    • Bayesian optimization of materials and molecular properties (Milica Todorović, invited speaker)
    • Decoding Aerosol Surface Chemistry: Insights from XPS Spectra via DFT and Machine Learning (Mandira Das, contributed talk)
    • Active Learning Structure Search Study of 17-Beta-Estradiol Adsorption on Graphene (Saara Sippola, poster presentation)
  • Computational Chemistry days, 2-3.5.2025, Espoo, FI 
    • Decoding Aerosol Surface Chemistry: Insights from XPS Spectra via DFT and Machine Learning (Mandira Das, contributed talk)
    • Active Learning Structure Search Study of 17-Beta-Estradiol Adsorption on Graphene (Saara Sippola, contributed talk)
    • Innovative Approaches to Semiconductor Surface Oxidation Studies Using Active Learning and MLIP (Ondřej Krejčí, poster presentation)
  • Belgiun-German WE-Heraeus Seminar : ‘Machine Learning for Spectroscopy’, 26- 28.05.2025, Brussels, BE 
    • Decoding Aerosol Surface Chemistry: Insights from XPS Spectra via DFT and Machine Learning (Mandira Das, contributed talk)
    • Exploiting Materials Symmetry to Accelerate Bayesian Optimization Structure Search in Computational Atomistic Studies (Abdurrahman Adhyatma, poster presentation)
  • Machine Learning for Materials Discovery ML4MD, 5-8.5.2025, Espoo, FI (Milica Todorović & Tomasz Galica, organisers)
    • High-throughput workflow for heterocatalyst screening,(Ondřej Krejčí, speaker)
    • PV600: Annotated dataset of perovskite bandgaps for information extraction from literature,(Matilda Sipilä, poster presentation)
    • Democratising information extraction: web application M-PIE for materials property extraction from scientific texts, (Henri Haapanen, poster presentation)
    • XPS of Aerosol Particle: a combined ML and DFT approach (Mandira Das, poster presentation)
    • Active Learning Structure Search Study of 17-Beta-Estradiol Adsorption on Graphene (Saara Sippola, poster presentation)
  • CSC Spring School in Quantum Chemistry 2025, 23-25.4.2025, Espoo, FI
    • Active machine learning for quantum chemistry and Supervised machine learning for quantum chemistry (Milica Todorović, invited speaker)
    • Active Learning Structure Search Study of 17-Beta-Estradiol Adsorption on Graphene (Saara Sippola, poster presentation)
  • MRS Spring Meeting 2025, Interpretable AI for Materials Optimization with Active Learning, 7-11.4.2025, Seattle, USA (Milica Todorović, invited speaker)

2024

2023