Fitxa persona

Dr. J. Aragó (b. 1983, Valencia) is an Associate Professor (2024) at the Institute for Molecular Science (ICMol) and Dept. Physical Chemistry of the University of Valencia (Spain). Dr. J. Aragó obtained his PhD with academic honours in 2012 at the ICMol (University of Valencia). Upon graduation, he moved to the University of Warwick (UK) for a post-doctoral stay at the group of Prof. A. Troisi after being awarded the prestigious Marie Curie Intra-European Fellowship (IEF). Once back to the ICMol in 2016, he was awarded the JdC-Incorporación Fellowship and, in 2018, the Ramon-y-Cajal Fellowship.

Dr. J. Aragó is interested in computational chemistry. In particular, he is mainly focused on the intimate relationship between molecular organization and functionality, which is of utter importance for the design and development of enhanced (supra)molecular systems for technological applications. This requires a broad set of classical and quantum computational techniques (e.g., QM/MM, MD simulations, ab initio CASSCF/CASPT2, DFT-NL, TDDFT, GFN2-xTB, model Hamiltonians, quantum dynamics,…). Currently, his three main research lines are: 1) Modelling of weakly-bonded supramolecular systems, 2) Exciton/charge transport in (supra)molecular materials and 3) modelling of plastic-degrading enzymes.

Dr. J. Aragó has consolidated as a well-reputed scientist in the field of functional (supra)molecular materials from a theoretical perspective. Proof of that is his scientific production with 2 book chapter and 97 publications in international peer-review journals. His work has been cited over 3160 times (Google Scholar, 4th January 2026), resulting in an h index of 34. His theoretical expertise is also recognized being an active reviewer in international journals of Multidisciplinary Chemistry, Materials Chemistry and Physical Chemistry and in the AEI agency for the assessments of research projects and fellowships at national level.

Dr. J. Aragó has already supervised 4 PhD thesis, 9 MSc students and 9 TFGs (final degree projects). J. Aragó actively participates in the Erasmus Mundus Master on Theoretical Chemistry and Computational Modelling (TCCM), not only as a supervisor of students but also as a teacher of one of the subjects (Theoretical chemistry methods I). Finally, he has also collaborated in outreach activities such as “Expociencia” and talks in high-schools to disseminate science in non-specialized contexts.