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
Aragó, J; Sancho-García, JC; Ortí, E; Beljonne, D
"
Ab Initio Modeling of Donor-Acceptor Interactions and Charge-Transfer Excitations in Molecular Complexes: The Case of Terthiophene-Tetracyanoquinodimethane"
J. Chem. Theory Comput. 7 2011
| 10.1021/ct200203k
Aragó, J; Viruela, PM; Gierschner, J; Ortí, E; Milián-Medina, B
"
Oligothienoacenes versus oligothiophenes: impact of ring fusion on the optical properties"
Phys. Chem. Chem. Phys. 13 2011
| 10.1039/c0cp00410c
Aragó, J; Viruela, PM; Ortí, E; Osuna, RM; Hernández, V; Navarrete, JTL; Swartz, CR; Anthony, JE
"
Functionalized pentacenes: a combined theoretical, Raman and UV-Vis spectroscopic study"
Theor. Chem. Acc. 128 2011
| 10.1007/s00214-010-0821-8
González, SR; Aragó, J; Viruela, PM; Ortí, E; Navarrete, JTL; Sato, M; Casado, J
"
Diferrocenyl oligothiophene wires: Raman and quantum chemical study of valence-trapped cations"
J. Chem. Phys. 135 234705 2011
| 10.1063/1.3669653
Total: 4
