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
Calbo, J; Ortí, E; Sancho-García, JC; Aragó, J
"
Accurate Treatment of Large Supramolecular Complexes by Double-Hybrid Density Functionals Coupled with Non local van der Waals Corrections"
J. Chem. Theory Comput. 11 2015
| 10.1021/acs.jctc.5b00002
Calbo, J; Ortí, E; Sancho-García, JC; Aragó, J
"
The Nonlocal Correlation Density Functional VV10: A Successful Attempt to Accurately Capture Noncovalent Interactions"
11 2015
| 10.1016/bs.arcc.2015.09.002
Guilleme, J; Aragó, J; Ortí, E; Cavero, E; Sierra, T; Ortega, J; Folcia, CL; Etxebarria, J; González-Rodríguez, D; Torres, T
"
A columnar liquid crystal with permanent polar order"
J. Mater. Chem. C 3 2015
| 10.1039/c4tc02662d
Guilleme, J; Mayoral, MJ; Calbo, J; Aragó, J; Viruela, PM; Ortí, E; Torres, T; González-Rodríguez, D
"
Non-Centrosymmetric Homochiral Supramolecular Polymers of Tetrahedral Subphthalocyanine Molecules"
Angew. Chem.-Int. Edit. 54 2015
| 10.1002/anie.201411272
Moreira, L; Calbo, J; Calderon, RMK; Santos, J; Illescas, BM; Aragó, J; Nierengarten, JF; Guldi, DM; Ortí, E; Martín, N
"
Unveiling the nature of supramolecular crown ether-C60 interactions"
Chem. Sci. 6 2015
| 10.1039/c5sc00850f
Moreira, L; Calbo, J; Illescas, BM; Aragó, J; Nierengarten, I; Delavaux-Nicot, B; Ortí, E; Martín, N; Nierengarten, JF
"
Metal-Atom Impact on the Self-Assembly of Cup-and-Ball Metalloporphyrin-Fullerene Conjugates"
Angew. Chem.-Int. Edit. 54 2015
| 10.1002/anie.201409487
Varnavski, O; Abeyasinghe, N; Aragó, J; Serrano-Pérez, JJ; Ortí, E; Navarrete, JTL; Takimiya, K; Casanova, D; Casado, J; Goodson, T
"
High Yield Ultrafast Intramolecular Singlet Exciton Fission in a Quinoidal Bithiophene"
J. Phys. Chem. Lett. 6 2015
| 10.1021/acs.jpclett.5b00198
Total: 7
