Scientific Leaders
Members
MolMatTC group in 2019
Prof. Enrique Ortí
Enrique Ortí is a Full professor of Physical Chemistry at the University of Valencia. His research interests concern the application of quantum chemistry to the theoretical calculation of electroactive/photoactive molecular systems involved in organic/molecular electronics.
Telephone: +34 963544438 E-mail: Esta dirección de correo electrónico está siendo protegida contra los robots de spam. Necesita tener JavaScript habilitado para poder verlo.
Dr. Juan Aragó
Juan Aragó is a Ramon-y-Cajal Research Fellow. His current research interests are in the theoretical description of supramolecular assemblies by means of quantum and classical methods and the exciton/charge transport in these molecular systems.
Telephone: +34 963543154 E-mail: Esta dirección de correo electrónico está siendo protegida contra los robots de spam. Necesita tener JavaScript habilitado para poder verlo.
Dr. Joaquín Calbo
Joaquín Calbo is assistance professor and a member of the MolMatTC group. His current research interest is in the theoretical description of (supra)molecular electroactive systems and metal organic frameworks (MOFs).
Telephone: +34 963544444 E-mail: Esta dirección de correo electrónico está siendo protegida contra los robots de spam. Necesita tener JavaScript habilitado para poder verlo.
Postdoctoral Researchers
Dr. Angelo Giussani
Angelo Giussani is a post-doc at the MolMatTC group. His current research is mainly focused on the study of Ir and Cu ionic transition-metal complexes for electrochemical applications, performing both DFT based computations and RASPT2 calculations.
Telephone: +34 963543154 E-mail: Esta dirección de correo electrónico está siendo protegida contra los robots de spam. Necesita tener JavaScript habilitado para poder verlo.
Aman Ullah
Aman Ullah is a PhD student in the MolMatTC group within the PhD program in Nanoscience and Nanotechnology. He is currently working on the theoretical description of single molecular magnets with potential for quantum computing applications.
Telephone: +34 963543487 E-mail: Esta dirección de correo electrónico está siendo protegida contra los robots de spam. Necesita tener JavaScript habilitado para poder verlo.
Rafael Garcia-Meseguer
Dr. Rafael Garcia-Meseguer, a postdoctoral researcher at MolMatTC, specializes in theoretical enzymatic catalysis. He is currently researching plastic biodegradation through the application of hybrid QM/MM molecular dynamics.
Telephone: +34 963543487 E-mail: Esta dirección de correo electrónico está siendo protegida contra los robots de spam. Necesita tener JavaScript habilitado para poder verlo.
Alberto Fernández Alarcón
Dr. Alberto Fernández Alarcón a postdoctoral researcher at MolMatTC, specializes in the real space analysis applied to chemical bond. His main research line is focused in the study of HTM and MOFs within the framework of Quantum Chemical Topology.
Telephone: +34 963543487 E-mail: Esta dirección de correo electrónico está siendo protegida contra los robots de spam. Necesita tener JavaScript habilitado para poder verlo.
PhD Researchers
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Raquel Rubert-Albiol |
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| Raquel Rubert is a PhD student in the MolMatTC group within the Theoretical Chemistry and Computational Modelling PhD program. She is currently working on the theoretical description of organic π-conjugated compounds with biradical character. | ||||
| Telephone: +34 963543487 | E-mail: Esta dirección de correo electrónico está siendo protegida contra los robots de spam. Necesita tener JavaScript habilitado para poder verlo. | |||
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Azahara Doncel-Giménez |
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| Azahara Doncel-Giménez is a phD researcher in the MolMatTC group within the Theoretical Chemistry and Computational Modelling master program. She is currently working on the theoretical understanding of the transfer and amplification of chirality in supramolecular polymers by means of computational techniques (classical and quantum). | ||||
| Telephone: +34 963543487 | E-mail: Esta dirección de correo electrónico está siendo protegida contra los robots de spam. Necesita tener JavaScript habilitado para poder verlo. | |||
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María Esteve-Rochina
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| María Esteve-Rochina is a PhD student researcher in the MolMatTC group within the Theoretical Chemistry and Computational Modelling PhD program. She is currently working on the theoretical study of electroactive hybrid inorganic-organic porous materials (MOFs, HOFs and COFs). | ||||
| Telephone: +34 963543487 | E-mail: Esta dirección de correo electrónico está siendo protegida contra los robots de spam. Necesita tener JavaScript habilitado para poder verlo. | |||
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Iván Soriano-Díaz
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| Iván Soriano Díaz is a PhD student in the MolMatTC group within the Theoretical Chemistry and Computational Modelling PhD program. He is currently working on the theoretical description of Ir and Cu ionic transition-metal complexes for electrochemical applications, performing both DFT and ab-initio calculations. | ||||
| Telephone: +34 963543487 | E-mail: Esta dirección de correo electrónico está siendo protegida contra los robots de spam. Necesita tener JavaScript habilitado para poder verlo. | |||
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Manuel Pérez Escribano
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| Manuel Pérez Escribano is a PhD student in the MolMatTC group within the Theoretical Chemistry and Computational Modelling PhD programme. His research interests span the computational characterization of optoelectronic materials for perovskite-based solar cell devices, including their supramolecular organization, structural features and charge-transport processes. | ||||
| Telephone: +34 963543487 | E-mail: Esta dirección de correo electrónico está siendo protegida contra los robots de spam. Necesita tener JavaScript habilitado para poder verlo. | |||
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Pau Armada-Sanchis
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| Pau Armada-Sanchis is a PhD student in MolMatTC group within the Theoretical Chemestry and Computational Modelling PhD program. He is currently working on implement and extend the multistate and multifragment diabatization method based on fragment hole and electron densities (FPHD), in order to describe electron and exciton processes. | ||||
| Telephone: +34 963543487 | E-mail: Esta dirección de correo electrónico está siendo protegida contra los robots de spam. Necesita tener JavaScript habilitado para poder verlo. | |||
Master Student
Former Members
Jesús Cerdá (PhD Student)
Daniel Aranda (PostDoc)
Pedro Viruela (Full Professor)
Rafael Viruela (Associate Professor)
Michael Hernández (Master Student)
Paula Pla (Master Student)
Emilia Aragao (Master Student)
Jihan Lubani (Master Student)
Begoña Milián (Postdoc)
Rubén D. Costa (PhD student)