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My first article is out now! Exploring the use of Hilbert-space schemes for the calculation of electronic aromaticity indicators, so new systems can be studied. Also, we introduce our own Python code to compute them, with highly efficient algorithms. Check it out!

@joangrebol Pedro Salvador and I (Eduard Matito 🎗) introduce robust Hilbert-space partitions as economical and error-free alternatives to real-space partitions used to measure aromaticity, opening the door to studying large molecular rings. @donostiachemdev DIPC @iqccUdG #aromaticity

Heading to Amsterdam for the #CBOND! 🥳 Also, tomorrow I will be giving a talk in the Young Researchers Symposium about my recently published research AND a poster later this week showing new results. 👀 Excited!

Joan Grèbol-Tomàs of Universitat de Girona and DIPC presents a contributed talk CBOND2024 YRS on the “Evaluating electronic aromaticity indicators from robust, cheap and error-free Hilbert-space partition schemes.” #CBOND2024

So happy to share my work to everyone at the YRS!!

Today, in our literature review, Joan Grèbol presented the article titled 'How electrons still guard the space: Electron number distribution functions based on QTAIM∩ELF intersections,' authored by Ángel Martín Pendás group. An excellent and fascinating work—congratulations to the team!

Last night, we had a wonderful group dinner at the gastronomical society! We bid farewell to Rubén and celebrated Irene Casademont's return. From shopping to cooking together at Ardatza, it was a night filled with laughter, good food, and great company!

Today, road trip to Bayonne! Some group members are attending a workshop organized by the Quantum ChemPhys Transborder Lab to strengthen collaborations between UPV/EHU, DIPC, and the University of Bordeaux. Looking forward to exchanging ideas and creating new collaborations!

From today at Transborder Lab Meeting between the DIPC and the University of Bordeaux, in Bayonne, showing some research from the QuantumChemDev group!

There have been many interesting talks at this workshop organized by the Quantum ChemPhys Transborder Lab, including those by Markel, Babu, and Joan Grèbol , three members of our group. Excellent presentations and great work, everyone!

Jineon Baek: Optimality of Gerver's Sofa arxiv.org/abs/2411.19826 arxiv.org/pdf/2411.19826

Today, after returning from the Christmas holidays, Joan Grèbol shared with us his incredible work on "Electron Delocalization Measures in Large Conjugated Circuits". Keep up the great work!

Molt content d'haver ensenyat part de la meva recerca a la 2a Reunió de Química Teòrica i Computacional. Molt més content, però, d'haver-ho pogut fer en català!! 😜 Societat Catalana de Química

These days, Markel, Joan Grèbol , and Andrei are in Barcelona, taking part in the 2nd RQTC, organized by Societat Catalana de Química . A fantastic opportunity to learn about the latest advances from our Catalan colleagues! 😃

Here are some snapshots from this morning's presentations! 📸