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IQTC Meeting 2024


We are glad to announce that the IQTC Meeting will take place on October 30th and 31st at the Faculty of Chemistry of the Universitat de Barcelona.

The event allows the IQTC members to share the findings obtained from their research. The aim of the event is to broaden the views on topics of interest to the community.

The event will take place at the Aula Magna Enric Casassas.

Register here: https://forms.office.com/e/dGnECf3BL1

Program

October 30th

11:30-11:45Welcome by Eliseo Ruiz
11:45-12:30Talk by Georg Kresse: “Machine learning and beyond DFT methods: quantitative materials modelling at your fingertips”
12:30-13:00Talk by Claudia Climent: “Molecules in cavities: from weak to strong light-matter coupling”
13:00-15:30Lunch
15:30-16:00Talk by Mohit Kumar: “Out of equilibrium self-assembly of synthetic lipid into vesicle”
16:00-16:15Talk by Raúl Santiago: “MODA: A quantum-informed representation for ML applications in chemistry”
16:15-16:45Talk by Francisco Javier Luque: “From continuum solvation models to the screening of on-demand chemical libraries”
16:45-17:15Talk by Mario Palacios: “Surface Functionalization by All Means: From Molecular Switches to Advanced Sensors, and beyond”

October 31st

10:00-10:30Talk by Carles Curutchet: “Modelling the interplay between structure and spectroscopy in biosystems”
10:30-11:00Talk by Pablo Gamallo: “Role of Eley-Rideal reactions on modelling heterogeneous catalysis”
11:00-11:15Talk by Òscar Vidal: “Unraveling a4GalT mechanism and its inhibitors: towards a therapeutic approach for Fabry Disease”
11:15-11:45Coffee Break/Poster Session
11:45-12:15Talk by Silvia Gomez: “The Challenge of Spin-State Energetics in Transition Metal Complexes”
12:15-12:30Talk by Katerina Barmpidi: “Exploring Novel Mechanisms in Paradoxical AMPK Inhibitors”
12:30-13:15Talk by Johannes Gierschner: “Charge Transfer State Engineering for Tailor-Made Luminescent Organic Materials”
13:15-13:30Concluding remarks by Eliseo Ruiz
13:30-15:00Lunch/Poster Session

Zoom session for October 30th:
https://ub-edu.zoom.us/j/94260701414?pwd=TP88CyVmYC3ThQKUa0fJpHkEUacFso.1

Meeting ID: 942 6070 1414
Access code: 209706

Zoom session for October 31st:
https://ub-edu.zoom.us/j/93272147939?pwd=9lGkag4WiM0aEj5s6lQi91grISqH3A.1

Meeting ID: 932 7214 7939
Access code: 843796

Posters IQTC Meeting 2024