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Presentations Romain Deleu (Geology): Hydrodynamics of solute transport in karst conduits: assessment by multi-point dye tracing and numerical modellingJustine Bélik (Biology): Can DNA methylation predict the age of a self-fertilizing vertebrate species?

With oral and poster presentations by ILEE affiliates. Students and young researchers are particularly invited to present their research and practice their presentation skills in English. The day is also important for ILEE members as it enables them to keep abreast of ongoing projects in different disciplines and to foster collaboration.At the end of the day, the annual general meeting of all members will take place with a summary of the past year's activities and achievements.We are honored to announce that Arnaud Péters, PhD in history and founder of sites_H, will be the keynote speaker!

His long-term collaboration with Dr. Aniruddha Chatterjee recently resulted in the first collaborative framework agreement between the University of Otago and UNamur, as well as an international Erasmus+ (EU) credit mobility funding this scientific mission. Frédéric Silvestre deepened his understanding of the advanced DNA methylation techniques employed by Dr. Chatterjee's team, including their bioinformatics workflows and innovative approach to epigenetic editing. He has given several seminars presenting LEAP's research on mangrove rivulus and turquoise molefish. He also presented at the Australasian Epigenetic Alliance conference and had the opportunity to explore potential new collaborations with other departments, including zoology, sustainable development, chemistry and marine sciences.

Quentin Willot (Biology) has just joined URBE for a two-year post-doctoral position (Marie Sklodowska-Curie Action, supervisor: Alice Dennis) on a project called ChillAnts. This project focuses on the study of adaptation to extreme temperatures in holarctic (trans-Beringian) ant species, from a physiological, ecological and evolutionary point of view. Quentin will present a more technical aspect of his work (Thermal Death Time Curve Modelling).

The program 2:00 pm | Keynote lecture on the use of AI in research - Hugues BERSINI, Professor at the Université libre de Bruxelles: "Can science be just data driven?" 3:00 pm | Presentations by UNamur researchers3:00 pm | Catherine Guirkinger: Use of AI in an economic history project3:15 pm | Nicolas Roy (PI: Alexandre Mayer): AI at the service of innovation in photonics and optics: revealing the secrets of scrolls through the classification of animal species15:25 | Nemanja Antonic (PI: Elio Tuci): An in silico representation of C. elegans collective behaviour<15h35 | Nicolas Franco : The benefits and dangers of "predicting the future" with covid-like machine learning models 15h45 | Michel Ajzen : Managerial and human implications of AI in organizations <15h55 | Robin Ghyselinck (PI : Bruno Dumas) : Deep Learning for endoscopy: towards next generation computer-aided diagnosis4:05 pm | Auguste Debroise (PI : Guilhem Cassan) : LLMs to measure the importance of stereotypes within gender representations in Hollywood films16h15 | Gabriel Dias De Carvalho : Learning practices in physics using generative AI16h25 | Sébastien Dujardin (PI : Catherine Linard) : Where Geography meets AI: A case study on mapping online flood conversations16h35 | Jeremy Dodeigne : LLMs in SHS: revolutionary tools in a Wild West Territory? Reflections on costs, transparency and open science16h45 | Antoinette Rouvroy : Governing AI in Democracy17h00 | Keynote lecture on ethics and guidelines to consider when using AI in research projects and writing research articles - Bettina BERENDT, Professor at KU Leuven18h00 | Benoît Frenay and Michaël Lobet : Creation of an IA scientific committee at UNamur18:10 | DrinkA certificate of attendance, worth 0.5 cross-disciplinary doctoral training credits, will be issued on request. Contact: secretariat.adre@unamur.beThis event is free of charge, but registration is required. I want to register

AbstractIn this work, I aimed to accurately simulate the Raman optical activity (ROA) signatures of flexible solute molecules in their environment. Indeed, these systems are quite challenging due to the potentially huge number of conformers—that is, local minima on the potential energy surface (PES). Furthermore, the environment can drastically alter the PES, as evidenced by experimental ROA spectra that vary significantly depending on the molecule’s conformation and its surroundings. To address this issue, we have developed a hierarchy of methodologies designated M1, M2, and M3. In M1 and M2, the so-called static approach is used: one or more conformers are identified, their geometries are reoptimized at the Density Functional Theory (DFT) level, and their vibrational signatures are simulated, typically using the harmonic approximation. The initial list of conformers was obtained using the CREST algorithm. In M1, the solvent is treated implicitly, whereas in M2, explicit solvent molecules are added around the solute molecule. In M3, we perform ab initio molecular dynamics simulations of the solute molecule surrounded by explicit solvent molecules. The spectrum is obtained by evaluating time-correlation functions along the trajectory. Our first systems of interest were cryptophane derivatives. These are flexible cage-like systems consisting of two hemispheres connected by three -O-(CH₂)n-O- (denoted Cr–nnn) linkers that exhibit chiroptical properties. For Cr–111, the smallest possible cryptophane, the M1 methodology showed good agreement with experimental data, especially in the fingerprint region. However, we demonstrated that the relative ratio between the different conformers was strongly influenced by the choice of the exchange-correlation (XC) functional in our DFT calculations, highlighting the sensitivity of the potential energy surface (PES) description. Cr–222 molecules have been shown to be more flexible, as evidenced by a greater number of significant conformers. The overall agreement with experimental data was also satisfactory. Finally, to test our different approaches (M1–M3), I performed new ROA measurements of amino acids in water at the University of Bordeaux in Dr. Daugey’s laboratory. When compared to our simulations, we clearly observed an improvement in the ROA signatures when explicit water molecules were added to our simulations (M2 vs. M1). Unfortunately, the M3 method did not perform as expected, and further investigation is needed. Overall, I have shown that the PES, as described by our various methodologies, is highly sensitive to various simulation parameters—such as the XC functional, the number and position of explicit solvent molecules, and so on—and that all of these factors strongly influence the simulated ROA signatures.JuryProf. Francesca CECCHET (UNamur), ChairProf. Vincent LIÉGEOIS (UNamur), SecretaryProf. Benoît CHAMPAGNE (UNamur)Prof. Carine CLAVAGUÉRA (University of Paris-Saclay)Dr. Nicolas DAUGEY (University of Bordeaux)

AbstractEnvironmental change rarely occurs as a single, isolated event; organisms and communities typically experience one stressor against the backdrop of another that has already passed. Arunima Sikder’s doctoral thesis examines whether an organism’s past environment shapes its response to the environment that follows, and whether that influence propagates upward to affect the stability of the communities to which these organisms belong.The thesis addresses this question in Synechococcus sp., a globally significant marine primary producer, using thermal and chemical stressors as its two environmental drivers. Working across three levels of biological organization, the study examines how past environments shape responses to subsequent ones—whether they occur in sequence, fluctuate, or occur in combination—using functional traits as the common metric for measuring these responses.The results reveal three key findings. First, sensitivity to a stressor depends on the sequence of exposure, not on the stressor alone. Second, response diversity predicts community stability only when measured under the community’s actual acclimation history, rather than under sustained conditions as conventional wisdom assumes. Third, an apparent contradiction in biodiversity–ecosystem function theory—a negative relationship between functional diversity and performance.Together, these findings suggest that sensitivity, response diversity, and functional diversity should be treated as state-dependent quantities rather than fixed properties, with implications for how the performance of biological systems is measured and modeled under increasingly variable environmental conditions.JuryProf. Alice DENNIS (UNamur), ChairProf. Frederik DE LAENDER (UNamur), SecretaryProf. Maren STRIEBEL (Carl von Ossietzky University Oldenburg)Prof. Giulia GHEDINI (Monash University)Prof. Eli THORÉ (UNamur)