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    International Meeting on Theoretical and Experimental Chemistry: How to Design and Study New Compounds with Potential Application

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    University of Wrocław
    iod@uwr.edu.pl
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    WEBINAR (ONLINE CONFERENCE, FREE OF CHARGE, time zone: CET, UTC+1) (Wrocław, Poland)

    WEBINAR (ONLINE CONFERENCE, FREE OF CHARGE, time zone: CET, UTC+1)

    Wrocław, Poland

    ul. F. Joliot-Curie 14 50-383 Wrocław, Poland
    Aneta Jezierska (dr hab, prof Uniwersytetu), Alina Bieńko (University of Wrocław, Faculty of Chemistry), Edgar Del Carpio (University of Wrocław, Faculty of Chemistry), Jarosław Panek (dr hab, prof Uniwersytetu), Monika Kijewska (University of Wrocław, Faculty of Chemistry), Piotr Ordon (Wrocław University of Environmental and Life Sciences), Tomasz Olszewski (Wrocław University of Science and Technology)
    IMTEC2026_Template_of_abstract.docx
    ABSTRACTS
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    • Tuesday 1 December
      • 11:00
        Opening of the Meeting
      • Session 1. Chair: Jarosław Panek
        • 1
          Artificial Intelligence in Chemistry: Designing Molecules with Desired Properties
          Speaker: Prof. Marcin Hoffmann (Adam Mickiewicz University in Poznań)
        • 2
          How small molecules interact with lipid membranes, as collected in MolMeDB database
          Speaker: Prof. Karel Berka (Palacky University Olomouc, Department of Physical Chemistry)
        • 3
          Chemical reactivity from linear response eigenfunctions and eigenvalues
          Speaker: Prof. Christophe Morell (Université de Lyon, Institut des Sciences Analytiques)
      • 13:00
        Lunch Break
      • Session 2. Chair: Monika Kijewska
        • 4
          From Molecular Dynamics to Machine Learning: A Local-to-Global Strategy for Predicting Protein–RNA Binding Affinity
          Speaker: Dr Parisa Aletayeb (Università degli Studi di Milano, Dipartimento di Scienze Farmaceutiche)
        • 5
          Design and synthesis of (2-)piperidinyl methanol-derived quinolines and their structural determinants for antiparasitic activity
          Speaker: Dr Diogo Rodrigo Moreira (Instituto Gonçalo Moniz, Fiocruz Bahia, Brasil)
        • 6
          Charting Natural Product Chemical Space: Cheminformatics and Artificial Intelligence for Drug Discovery
          Speaker: Prof. José L. Medina-Franco (Universidad Nacional Autónoma de México)
      • 15:30
        Coffee Break
      • Teaching Lecture: Including bulk solvation contributions during excited-state calculations - Prof. Denis Jacquemin (Nantes Université, Département Chimie)

        Teaching lecture of Professor Denis Jacquemin (Nantes Université, Département Chimie)

    • Wednesday 2 December
      • Session 3. Chair: Aneta Jezierska
        • 7
          Reactivity Indices from Conceptual Density Functional Theory: Analytical and Data-Based Evaluation and Extension to Excited States
          Speaker: Prof. Frank De Proft (Vrije Universiteit Brussel)
        • 8
          Scientific Research in the Digital Era – Quo Vadis?
          Speaker: Mrs Agnieszka Szymańska-Kwiecień (Vice-Director of the Wrocław Centre for Networking and Supercomputing)
        • 9
          Building the QUEST database: the computational and chemical challenges of obtaining reference excited-state data
          Speaker: Prof. Denis Jacquemin (Nantes Université, Département Chimie)
        • 10
          Modelling the Lowest Triplet States of Cu(I) Photosensitizers
          Speaker: Prof. Marcin Andrzejak (Jagiellonian University in Kraków)
      • 13:00
        Lunch Break
      • Session 4. Chair: Alina Bieńko
        • 11
          High-Field EPR Observation of Weak Exchange Interactions in Transition Metal Complexes
          Speaker: Prof. Andrzej Ożarowski (The National High Magnetic Field Laboratory, Tallahassee, FL, USA)
        • 12
          Young Researchers Session 1
      • 16:00
        Coffee Break
      • Session 5. Chair: Piotr Ordon
        • 13
          Young Researchers Session 2
      • 17:30
        Coffee Break
      • Workshop 1: Rethinking Drug Design: From Classical to New Approaches - workshop by Prof. Edgar Del Carpio (Central University of Venezuela; University of Wrocław)
    • Thursday 3 December
      • Workshop 2: What Makes a Molecule a Drug? From Molecular Properties to Computational Drug Design - MSc. Chaitali Barman (University of Wrocław)
      • 10:45
        Coffee Break
      • Session 6. Chair: Tomasz Olszewski
        • 14
          Small Forces Matter
          Speaker: Dr Przemysław Dopieralski (University of Wrocław, Faculty of Chemistry)
        • 15
          From residues to pockets: binding site prediction with protein language models
          Speaker: Prof. David Hoksza (Charles University, Prague)
        • 16
          Palladium-catalyzed cross-coupling and carbonylation reactions under mechanochemical conditions
          Speaker: Prof. Radovan Šebesta (Comenius University Bratislava)
        • 17
          From Complexes to Nanoparticles and Back
          Speaker: Prof. Pavel Kopel (Palacky University Olomouc)
      • 13:00
        Lunch Break
      • Session 7. Chair: Edgar Del Carpio
        • 18
          From Crystal Structure to Biomolecular Function: Experimental and Theoretical Insights into Pyridoxal-Based Metal Complexes
          Speaker: Prof. Dušan Dimić (University of Belgrade, Faculty of Physical Chemistry)
        • 19
          Is the new material clean? Analytical strategies from sample to signal for trace elements determination by atomic spectrometry
          Speaker: Dr Enikő Covaci (Babes-Bolyai University, Cluj-Napoca)
        • 20
          Young Researchers Session 3
      • 16:00
        Closing Remarks