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IQTC / QTMC meeting 2023
We are glad to announce that the IQTC / QTMC Meeting will take place on September 18th and 19th at the Faculty of Chemistry of the Universitat de Barcelona.
The event allows the IQTC members and the QTMC PhDs 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/pages/responsepage.aspx?id=qzwxosOxOk-7ESFXRH3btLl02Bxg9YxBsLGyC51u8llUQk1WMjdIRDNTUDFQVDMyNDZDTjFaQ1dTOC4u
Program
September 18th
| 15:00-15:25 | Welcome by Eliseo Ruiz and Mercè Deumal |
| 15:25-16:10 | Talk by Michael Robb “Controlling the electrons in excited state chemistry“ |
| 16:10-16:40 | Talk by Albert Bruix “Addressing the complexity of nanostructured materials under reaction conditions“ |
| 16:40-16:55 | Talk by Gemma Llauradó “Tailored design of a water-based nanoreactor technology for producing processable sub-40 nm 3D COF nanoparticles at atmospheric conditions“ |
| 16:55-17:25 | Coffee Break / Poster Session |
| 17:25-17:55 | Talk by Carolina Estarellas “Role of conformational plasticity in selective direct activation mechanism of AMPK isoforms“ |
| 17:55-18:10 | Talk by Eleonora Romeo “Trends in structure-sensitive activity and selectivity during the NO hydrogenation“ |
| 18:10-18:40 | Talk by Bart Limburg “Single Molecule Electronics and Metallaphotoredox Catalysis“ |
Join the Zoom meeting https://ub-edu.zoom.us/j/97213658967?pwd=Q1p3QzFtSVM0UG8zYmJaWlpSZk8zdz09 Meeting ID: 972 1365 8967 Access code: 225463
September 19th
| 9:30-10:30 | Talk by Xavier Barril “Developing a computational platform to perform virtual screening at the trillion scale“ |
| 10:30-11:00 | Talk by Roc Matheu “Expanded analogs of halide perovskites with controllable charge-transport properties“ |
| 11:00-11:15 | Talk by Maria Nuria Peralta “A step forward in Drug Design: Applying Markov State Models into the Fragment dissolved Molecular Dynamics methodology“ |
| 11:15-11:45 | Coffee Break / Poster Session |
| 11:45-12:15 | Talk by Jordi Cirera “Exploring the Ligand Chemical Space in Spin-Crossover Molecules with Electronic Structure Methods“ |
| 12:15-12:30 | Talk by Irene Cuxart “Unveiling non-classical mechanisms of glycoside hydrolases: Substrate-assisted catalysis“ |
| 12:30-13:15 | Talk by Pierre-Francois Loos “CIPSI: selected configuration interaction methods for ground and excited states“ |
| 13:15-13:30 | Concluding remarks by Eliseo Ruiz |
| 13:30 | Lunch / Poster Session |
Join the Zoom meeting https://ub-edu.zoom.us/j/99190775109?pwd=bHF3bnByZnhCajk5Zm1LWEdOMkJvdz09 Meeting ID: 991 9077 5109 Access code: 593035
Posters IQTC Meeting 2023
This activity is part of the Grant CEX2021-001202-M funded by MCIN/AEI/ 10.13039/501100011033.
