Background
Dr. J. Aragó (b. 1983, Valencia) is currently a Ramon-y-Cajal Research Fellow at the Institute for Molecular Science (ICMol) of the University of Valencia (Spain). Dr. J. Aragó obtained his PhD with academic honours in 2012 at the ICMol under the supervision of Profs. Enrique Ortí and Pedro M. Viruela. Upon graduation, he continued working for one year in his PhD group as a post-doctoral researcher and, then, moved in September 2013 to the University of Warwick (United Kingdom) 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 highly competitive Ramon-y-Cajal Fellowship.
Research interests
Dr. J. Aragó is interested in the theoretical characterization of the structural, electronic, self-assembly and energy/charge transport properties of electroactive/photoactive molecular systems with special relevance in the field of organic electronics. In particular, he is mainly focused on the intimate relationship between molecular organization and functionality (e.g., exciton transport) which is of utter importance for the design and development of enhanced (supra)molecular materials for the next generation of optoelectronic devices. His three main research lines are: 1) Modelling of weakly-bonded supramolecular systems, 2) Exciton/charge transport in (supra)molecular materials and 3) Computational modelling of plastic-degrading enzymes. The development of these research lines has allowed Dr. J. Aragó to acquire a considerable expertise in the application of classical and quantum computational techniques for the accurate description of electroactive (supra)molecular materials and biological systems.
Publications
García-Meseguer, R; Ortí, E; Tuñón, I; Ruiz-Pernía, JJ; Aragó, J
"
Insights into the Enhancement of the Poly(ethylene terephthalate) Degradation by FAST-PETase from Computational Modeling"
J. Am. Chem. Soc. 145 2023
| 10.1021/jacs.3c04427
Martínez, MA; Aranda, D; Ortí, E; Aragó, J; Sánchez, L
"
Thermodynamics of the self-assembly of N-annulated perylene bisimides in water. Disentangling the enthalpic and entropic contributions"
Org. Chem. Front. 10 2023
| 10.1039/d3qo00111c
Naranjo, C; Doncel-Giménez, A; Gómez, R; Aragó, J; Ortí, E; Sánchez, L
"
Solvent-dependent self-assembly of N-annulated perylene diimides. From dimers to supramolecular polymers"
Chem. Sci. 14 2023
| 10.1039/d3sc03372d
Total: 3
