Contact Details

Irene Casademont Reig

Donostia International Physics Center, DIPC
Kimika Teorikoa Departamentua, DIPC building 4
Euskal Herriko Unibertsitatea – University of The Basque Country
Manuel Lardizabal 4, 20018 Donostia
Euskal Herria
Phone: +34-943-015627
  • 2011 – 2015: BSc. Chemistry, Universitat de Girona.
  • 2015: Bachelor project “New Cu-based Dyes for application in Dye Sensitized Solar Cells (DSSC), Organic Light Emitting Diodes (OLEDs) and water splitting. An experimental and computational study”, Universitat de Girona
  • 2015 – 2016: MSc. Chemistry. Master in Advanced Catalysis and Molecular Modelling (MACMoM), Universitat de Girona.
  • 2016: Master project “Computational assessment of the properties of a Cu-based family of photosensitizers”, Universidad del País Vasco (UPV/EHU) / Donostia International Physics Center (DIPC).
  • 2016: PhD student. Grant of the Gobierno Vasco. Supervisors: Dr. Eduard Matito and Dr. Eloy Ramos-Cordoba.
  • 2017: 3 weeks visiting PhD student, Martin Head-Gordon group, University of California, Berkeley (UCB).
  • 2019: 3 month visiting PhD student, Trygve Helgaker group, under the supervision of Dr. David Balcells, Hylleraas Centre for Quantum Molecular Sciences, Oslo, Norway.

Conferences and Seminars

  • Poster presentation: 10th Congress on Electronic Structure: Principles and Applications (ESPA 2016), Castelló de la Plana, Spain, 2016.
  • Attendant:  XXXII Annual Meeting of the Reference Network in Theoretical and Computational Chemistry, Barcelona, 2016.
  • Oral communication: PhD student seminar series of CSIC-EHU/UPV, Donostia, 2017.
  • Oral communication: I International Vigo Meeting on Advanced Computational Chemistry (IViMACC), Vigo, 2017.
  • Oral communication: Symposium Bordeaux-Euskampus, Bordeaux, 2017.
  • Poster presentation: 11th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC2017), Munich, Alemania, 2017.
  • Poster presentation: 11th European Conference on Theoretical and Computational Chemistry (EUCO-TCC 2017), Barcelona, Spain, 2017.
  • Oral communication: 6th Workshop on Theoretical Chemistry and Computational Modelling (6th TCCM Workshop), Barcelona, Spain, 2017.
  • Oral communication: 9th European symposium on computing pi-conjugated compounds (CpiC), Napoli, Italy, 2018.
  • Oral communication: Young Researchers symposium (YRS-GiSeminar), Girona, Spain, 2018.
  • Poster presentation: Girona Seminar 2018 (GiSeminar), Girona, Spain, 2018.
  • Poster presentation: 11th Congress on Electronic Structure: Principles and Applications (ESPA 2018), Toledo, Spain, 2018.
  • Poster presentation: Second European Symposium on Chemical Bonding (ESCB2), Oviedo, Spain, 2018.
  • Oral communication: 10th European symposium on computing pi-conjugated compounds (CpiC), Valencia, Spain, 2019.
  • Poster presentation: XXXVII Reunión Bienal de la Real Sociedad Española de Química (RSEQ), Donostia, Spain, 2018.
  • Poster presentation: Theoretical Chemistry and Computational Modeling: 20 years promoting Excellence in Science (20TCCM), Donostia, Spain, 2018.
  • Oral communication: 1st International Conference on Excited State Aromaticity and Antiaromaticity (ICESSA), Sigtuna, Sweden, 2019.

Schools, Courses and Workshops

  • 2017: Software Carpentry Workshop, Donostia, Spain.
  • 2018: School on Quantum Chemical Topology of the ESBC2, Oviedo, Spain.
  • 2019: Horton and Chemtools workshop, Paris, France.
  • 2019: Seventeenth European Summerschool on Quantum Chemistry 2019 (ESQC), Palermo, Italy.

Publication List

  1. I. Casademont-Reig, T. Woller, J. Contreras-García, M. Alonso, M. Torrent-Sucarrat, E. Matito, “New electron delocalization tools to describe the aromaticity in porphirinoids”, Pys. Chem. Chem. Phys. 2018, 20, 2787-2796. DOI: 10.1039/C7CP07581B.
  2. I. Casademont-Reig, E. Ramos-Cordoba, M. Torrent-Sucarrat, E. Matito, ” How do the Hückel and Baird Rules Fade away in Annulenes?”, Molecules 2020, 25(3), 711 (