Name: International Meeting on Theoretical and Experimental Chemistry: How to Design and Study New Compounds with Potential Application
Start: 2026-12-01T11:00:00+01:00
End: 2026-12-03T16:15:00+01:00
Location: Wrocław, Poland

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

from Tuesday, 1 December 2026 (11:00) to Thursday, 3 December 2026 (16:15)

Monday, 30 November 2026
Tuesday, 1 December 2026

11:00 Opening of the Meeting
Opening of the Meeting
11:00 - 11:15
Room: WEBINAR (ONLINE CONFERENCE, FREE OF CHARGE, time zone: CET, UTC+1)
11:15 Session 1. Chair: Jarosław Panek
11:15 - 13:00
Room: WEBINAR (ONLINE CONFERENCE, FREE OF CHARGE, time zone: CET, UTC+1)
Contributions

11:15 Artificial Intelligence in Chemistry: Designing Molecules with Desired Properties - Marcin Hoffmann (Adam Mickiewicz University in Poznań)

12:00 How small molecules interact with lipid membranes, as collected in MolMeDB database - Karel Berka (Palacky University Olomouc, Department of Physical Chemistry)

12:30 Chemical reactivity from linear response eigenfunctions and eigenvalues - Christophe Morell (Université de Lyon, Institut des Sciences Analytiques)
13:00 Lunch Break
Lunch Break
13:00 - 14:00
Room: WEBINAR (ONLINE CONFERENCE, FREE OF CHARGE, time zone: CET, UTC+1)
14:00 Session 2. Chair: Monika Kijewska
14:00 - 15:30
Room: WEBINAR (ONLINE CONFERENCE, FREE OF CHARGE, time zone: CET, UTC+1)
Contributions

14:00 From Molecular Dynamics to Machine Learning: A Local-to-Global Strategy for Predicting Protein–RNA Binding Affinity - Parisa Aletayeb (Università degli Studi di Milano, Dipartimento di Scienze Farmaceutiche)

14:30 Design and synthesis of (2-)piperidinyl methanol-derived quinolines and their structural determinants for antiparasitic activity - Diogo Rodrigo Moreira (Instituto Gonçalo Moniz, Fiocruz Bahia, Brasil)

15:00 Charting Natural Product Chemical Space: Cheminformatics and Artificial Intelligence for Drug Discovery - José L. Medina-Franco (Universidad Nacional Autónoma de México)
15:30 Coffee Break
Coffee Break
15:30 - 15:45
Room: WEBINAR (ONLINE CONFERENCE, FREE OF CHARGE, time zone: CET, UTC+1)

15:45 Teaching Lecture: Including bulk solvation contributions during excited-state calculations - Prof. Denis Jacquemin (Nantes Université, Département Chimie)

15:45 - 17:00
Room: WEBINAR (ONLINE CONFERENCE, FREE OF CHARGE, time zone: CET, UTC+1)
Wednesday, 2 December 2026
11:00 Session 3. Chair: Aneta Jezierska
11:00 - 13:00
Room: WEBINAR (ONLINE CONFERENCE, FREE OF CHARGE, time zone: CET, UTC+1)
Contributions

11:00 Reactivity Indices from Conceptual Density Functional Theory: Analytical and Data-Based Evaluation and Extension to Excited States - Frank De Proft (Vrije Universiteit Brussel)

11:30 Scientific Research in the Digital Era – Quo Vadis? - Agnieszka Szymańska-Kwiecień (Vice-Director of the Wrocław Centre for Networking and Supercomputing)

12:00 Building the QUEST database: the computational and chemical challenges of obtaining reference excited-state data - Denis Jacquemin (Nantes Université, Département Chimie)

12:30 Modelling the Lowest Triplet States of Cu(I) Photosensitizers - Marcin Andrzejak (Jagiellonian University in Kraków)
13:00 Lunch Break
Lunch Break
13:00 - 14:00
Room: WEBINAR (ONLINE CONFERENCE, FREE OF CHARGE, time zone: CET, UTC+1)
14:00 Session 4. Chair: Alina Bieńko
14:00 - 16:00
Room: WEBINAR (ONLINE CONFERENCE, FREE OF CHARGE, time zone: CET, UTC+1)
Contributions

14:00 High-Field EPR Observation of Weak Exchange Interactions in Transition Metal Complexes - Andrzej Ożarowski (The National High Magnetic Field Laboratory, Tallahassee, FL, USA)

14:30 Young Researchers Session 1
16:00 Coffee Break
Coffee Break
16:00 - 16:15
Room: WEBINAR (ONLINE CONFERENCE, FREE OF CHARGE, time zone: CET, UTC+1)
16:15 Session 5. Chair: Piotr Ordon
16:15 - 17:30
Room: WEBINAR (ONLINE CONFERENCE, FREE OF CHARGE, time zone: CET, UTC+1)
Contributions

16:15 Young Researchers Session 2
17:30 Coffee Break
Coffee Break
17:30 - 17:45
Room: WEBINAR (ONLINE CONFERENCE, FREE OF CHARGE, time zone: CET, UTC+1)

17:45 Workshop 1: Rethinking Drug Design: From Classical to New Approaches - workshop by Prof. Edgar Del Carpio (Central University of Venezuela; University of Wrocław)

17:45 - 20:00
Room: WEBINAR (ONLINE CONFERENCE, FREE OF CHARGE, time zone: CET, UTC+1)
Thursday, 3 December 2026

09:00 Workshop 2: What Makes a Molecule a Drug? From Molecular Properties to Computational Drug Design - MSc. Chaitali Barman (University of Wrocław)

09:00 - 10:45
Room: WEBINAR (ONLINE CONFERENCE, FREE OF CHARGE, time zone: CET, UTC+1)

10:45 Coffee Break
Coffee Break
10:45 - 11:00
Room: WEBINAR (ONLINE CONFERENCE, FREE OF CHARGE, time zone: CET, UTC+1)
11:00 Session 6. Chair: Tomasz Olszewski
11:00 - 13:00
Room: WEBINAR (ONLINE CONFERENCE, FREE OF CHARGE, time zone: CET, UTC+1)
Contributions

11:00 Small Forces Matter - Przemysław Dopieralski (University of Wrocław, Faculty of Chemistry)

11:30 From residues to pockets: binding site prediction with protein language models - David Hoksza (Charles University, Prague)

12:00 Palladium-catalyzed cross-coupling and carbonylation reactions under mechanochemical conditions - Radovan Šebesta (Comenius University Bratislava)

12:30 From Complexes to Nanoparticles and Back - Pavel Kopel (Palacky University Olomouc)
13:00 Lunch Break
Lunch Break
13:00 - 14:00
Room: WEBINAR (ONLINE CONFERENCE, FREE OF CHARGE, time zone: CET, UTC+1)
14:00 Session 7. Chair: Edgar Del Carpio
14:00 - 16:00
Room: WEBINAR (ONLINE CONFERENCE, FREE OF CHARGE, time zone: CET, UTC+1)
Contributions

14:00 From Crystal Structure to Biomolecular Function: Experimental and Theoretical Insights into Pyridoxal-Based Metal Complexes - Dušan Dimić (University of Belgrade, Faculty of Physical Chemistry)

14:30 Is the new material clean? Analytical strategies from sample to signal for trace elements determination by atomic spectrometry - Enikő Covaci (Babes-Bolyai University, Cluj-Napoca)

15:00 Young Researchers Session 3
16:00 Closing Remarks
Closing Remarks
16:00 - 16:15
Room: WEBINAR (ONLINE CONFERENCE, FREE OF CHARGE, time zone: CET, UTC+1)