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
11:30-11:45 | Welcome by Eliseo Ruiz |
11:45-12:30 | Talk by Georg Kresse: “Machine learning and beyond DFT methods: quantitative materials modelling at your fingertips” |
12:30-13:00 | Talk by Claudia Climent: “Molecules in cavities: from weak to strong light-matter coupling” |
13:00-15:30 | Lunch |
15:30-16:00 | Talk by Mohit Kumar: “Out of equilibrium self-assembly of synthetic lipid into vesicle” |
16:00-16:15 | Talk by Raúl Santiago: “MODA: A quantum-informed representation for ML applications in chemistry” |
16:15-16:45 | Talk by Francisco Javier Luque: “From continuum solvation models to the screening of on-demand chemical libraries” |
16:45-17:15 | Talk by Mario Palacios: “Surface Functionalization by All Means: From Molecular Switches to Advanced Sensors, and beyond” |
October 31st
10:00-10:30 | Talk by Carles Curutchet: “Modelling the interplay between structure and spectroscopy in biosystems” |
10:30-11:00 | Talk by Pablo Gamallo: “Role of Eley-Rideal reactions on modelling heterogeneous catalysis” |
11:00-11:15 | Talk by Òscar Vidal: “Unraveling a4GalT mechanism and its inhibitors: towards a therapeutic approach for Fabry Disease” |
11:15-11:45 | Coffee Break/Poster Session |
11:45-12:15 | Talk by Silvia Gomez: “The Challenge of Spin-State Energetics in Transition Metal Complexes” |
12:15-12:30 | Talk by Katerina Barmpidi: “Exploring Novel Mechanisms in Paradoxical AMPK Inhibitors” |
12:30-13:15 | Talk by Johannes Gierschner: “Charge Transfer State Engineering for Tailor-Made Luminescent Organic Materials” |
13:15-13:30 | Concluding remarks by Eliseo Ruiz |
13:30-15:00 | Lunch/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