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PhD defense Alejandro Iglesias Reguant

Next Monday will be the defense of the doctoral thesis of Alejandro Iglesias Reguant, titled “Intermolecular interactions between fluorophores carrying BF/BF2 group and halogenated fluorobenzenes”, supervised by Dr. Borys Osmialowski and Dr. Josep Maria Luis from IQCC. The jury members will be Dr. Przemyslaw Dopieralski (University of Warsaw), Dr. Marcin Palusiak (University of Lodz), and Dr. Michal Cyranski (University of Warsaw). Place: Nicolaus

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MSCA Doctoral Network (COMENZE)

The project COMENZE: Computational and Experimental Enzyme Engineering for New Polymers, within the HORIZON-MSCA-2023-DN-101169327 call, aims to develop next-generation enzymes to enable recyclable materials and drive the transition to a circular economy. The consortium, coordinated by Dr. Lígia Martins (ITQB-NOVA Portugal), includes partners from different countries: Italy, Spain, Germany, Poland and The Netherlands. The MSCA grant is 2,563.653

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Sílvia Osuna recives BIOTRANS 2025 Junior Award

This week the BIOTRANS announced that Prof. Sílvia Osuna, ICREA researcher at the Institut de Química Computacional i Catàlisi (IQCC) of the UdG, received the BIOTRANS 2025 award, for her scientific career of quality and excellence achievements in biocatalysis. She will present her work at BIOTRANS 2025 in Basel. Trajectory: Osuna received her doctorate in 2010 from the University of Girona (UdG) at

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IQCC Day 2025

Since 2023 every two months, the IQCC is organizing some sessions of IQCC networking. This activity is trying to promote networking between the people of the all Institute (PIs, postdocs, PhD students, master students and staff) and it is a chemistry-free event. Last Thursday 20th March the 2nd IQCC Day took place. This activity is part of the Networking IQCC activities. We did a BBQ. Below you can find

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2025, International Women’s Day – Women’s IQCC Forum

8th of March is International Women’s Day.  The IQCC has currently a rather favourable balance in gender ratio of staff members, both at the Master level (54%), PhD level (47%), postdocs (21%) and permanent researchers staff (29%). Notably, out of the 4 most recent permanent members, 2 are men and 2 are women, reinforcing one of

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Computational drug repurposing: approaches, evaluation of in silico resources and case studies

Repurposing of existing drugs for new indications has attracted substantial attention owing to its potential to accelerate drug development and reduce costs. Hundreds of computational resources such as databases and predictive platforms have been developed that can be applied for drug repurposing, making it challenging to select the right resource for a specific drug repurposing

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[Co3@Ge6Sn18]5–: A Giant sigma-Aromatic Cluster Analogous to H3+ and Li3+

Aromaticity is one of the most important concepts in chemistry and has been successfully extended to all-metal clusters. However, the study of all-metallic aromatic clusters remains in its early stages, with sigma-aromatic clusters mostly limited to small sizes (<12) that often require external stabilization. In this work, we report the first Ge/Sn-based trimer, [Co3@Ge6Sn18]5–, which

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Alicia Casitas receives Marcial Moreno-Mañas Award of RSEQ-Cat

Alicia Casitas receives Marcial Moreno-Mañas Award 2024 for young researchers of RSEQ-Cat Last week the Real Sociedad Española de Química (RSEQ) announced that Dr. Alicia Casitas, former member at the Institut de Química Computacional i Catàlisi (IQCC) of the UdG, received the Marcial Moreno-Mañas Award 2024, for his scientific career of quality and excellence. The Marcial Moreno-Mañas Prize for Young Investigators distinguishes annually one

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PhD defense Najoua Choukairi Afailal

Next Tuesday will be the defense of the doctoral thesis of Najoua Choukairi Afailal, titled “Asymmetric oxidative dearomatization of arenes with biologically inspired oxidation catalysts”, supervised by Prof. Miquel Costas from IQCC. The jury members will be Dr. Wesley Brown (Rijksuniversiteit Groningen), Dr. Bert Klein Gebbink (Utrecht University) and  Dr. Montse Dieguez (Universitat Rovira i Virgili). Place: Aula Magna of the Faculty of

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Sílvia Escayola receives Josep Castells award of RSEQ-Cat

Sílvia Escayola won the Josep Castells awards from the Real Sociedad Española de Química, Catalan section (RSEQ-Cat) for the best PhD in Chemistry in 2024. She did her PhD in the DIMOCAT group of the Institute of Computational Chemistry and Catalysis (IQCC) under the supervision of Prof. Miquel Solà, Dr. Albert Poater and Dr. Eduard Matito about “Exploring

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