- Pin-Han Chen
Title: “Combined Quantum Mechanics / Machine Learning Approach to Accelerate Photodynamics Simulations with High Robustness”
Supervisors: Dr. Daniel Roca-Sanjuán and Dr. Javier Segarra-Martí
Entity: Universitat de València
Country of entity: Spain
Year: 2022 - Sara Alunno Rufini
Title: “Chemiluminescence mechanism of Luminol in aqueous solution: a DFT and CASPT2 approach”
Supervisors: Dr. Daniel Roca-Sanjuán, Dr. Begoña Milian Medina and Dr. Angelo Giussani
Entity: Universitat de València
Country of entity: Spain
Year: 2021 - Juliana Cuéllar Zuquin
Title: “A Theoretical Study on the Chemiexcitation of Melanin in the Framework of DNA Damage”
Supervisors: Dr. Daniel Roca-Sanjuán, Dr. Begoña Milian Medina and Dr. Angelo Giussani
Entity: Universitat de València
Country of entity: Spain
Year: 2021 - Javier Carmona García
Title: “Sunlight excited state chemistry of atmospheric mercury compounds”
Supervisor: Dr. Daniel Roca-Sanjuán
Entity: Universitat de València
Country of entity: Spain
Year: 2020 - Miriam Navarrete Miguel
Title: “Theoretical Study on the DNA Photo-damage and Photo-repair Mechanisms”
Supervisor: Dr. Daniel Roca-Sanjuán
Entity: Universitat de València
Country of entity: Spain
Year: 2019 - Ritam Mansour
Title: “Mechanism of the Chemiluminescent Reaction of Nitric Oxide and Ozone”
Supervisor: Dr. Daniel Roca-Sanjuán
Entity: Universitat de València and Université Toulouse III – Paul Sabatier
Country of entity: Spain
Year: 2019 - Fernand Louisnard
Title: “Non-Covalent Interactions in Chemiluminescence and Photochemistry in the Dark”
Supervisor: Dr. Daniel Roca-Sanjuán
Entity: Universitat de València and Université Toulouse III – Paul Sabatier
Country of entity: Spain
Year: 2018 - Amara Chrayteh
Title: “Theoretical Study of the Photo-Oxidation Process of Thymine and Guanine Necleobases by Benzophenone”
Supervisor: Dr. Daniel Roca-Sanjuán
Entity: Universitat de València and Université Toulouse III – Paul Sabatier
Country of entity: Spain
Year: 2018 - Buse Chaglayan
Title: “Spherical Aromaticity in C8 and B4N4 Cubic Systems”
Supervisor: Dr. Daniel Roca-Sanjuán
Entity: Universitat de València and Université Toulouse III – Paul Sabatier
Country of entity: Spain
Year: 2018 - Sebastian Sitkiewicz
Title: “Computational Calculation of Nonlinear Optical Properties from First Principles”
Supervisor: Dr. Daniel Roca-Sanjuán
Entity: Euskal Herriko Unibersitatea and Universitat de València
Country of entity: Spain
Year: 2017 - Luís Suárez
Title: “Theoretical Study of Charge-Separation Processes in Materials with Application in Organic Photovoltaics”
Supervisor: Dr. Daniel Roca-Sanjuán
Entity: Universitat de València and University of Gröningen
Country of entity: Holland
Year: 2017 - Meilani Wibowo
Title: “The Photosensitizers Porphycene and Benzophenone: A RASPT2 Study”
Supervisors: Dr. Mercedes Rubio, Dr. Daniel Roca-Sanjuán, Prof. Dr. Ria Broer and Dr. Remco Havenith
Host Institution: Universitat de València
Institution for Mobility Period: University of Groningen (Groningen, The Netherlands)
Years: 2013-2015 (2 years)
Day of dissertation: July 7th, 2015 - Tatiana Lemishko
Title: “Theoretical Study on the Dissociative Electron-Attachment Mechanism of Guanine”
Supervisors: Dr. Daniel Roca-Sanjuán, Prof. Dr. Manuela Merchán and Martial Boggio-Pasqua
Host Institution: Universitat de València
Institution for Mobility Period: Université de Toulousse III – Paul Sabatier (Toulousee, France)
Years: 2013-2015 (2 years)
Day of dissertation: July 7th, 2015 - Salmahaminati (visiting student)
Title: “Photophysics and Photochemistry of Sunlight-Absorbing Amino Acids: A CASSCF/CASPT2 Study”
Supervisors: Prof. Ria Broer, Dr. Remco Havenith and Dr. Daniel Roca-Sanjuán
Host Institution: University of Groningen (Groningen, The Netherlands)
Institution for Mobility Period: Universitat de València
Year: 2014 (4 months)
Day of dissertation: July 22nd, 2014 - José Manuel Guevara
Title: “DFT Calculations on the Photophysics and Photochemistry of Polypyridil Complexes of Ruthenium”
Supervisors: Dr. Daniel Roca-Sanjuán, Prof. Manuela Merchán and Dr. Alary Fabienne
Host Institution: Universitat de València
Institution for Mobility Period: Université Paul Sabatier (Toulouse, France)
Years: 2012-2014 (2 years)
Day of dissertation: July 18th, 2014 - Claudiu-Dumitru Sergentu (visiting student)
Title: “Revisiting the Intersystem Crossing in Benzophenone”
Supervisors: Prof. Ria Broer, Dr. Remco Havenith and Dr. Daniel Roca-Sanjuán
Host Institution: University of Groningen (Groningen, The Netherlands)
Institution for Mobility Period: Universitat de València
Year: 2013 (5 months)
Day of dissertation: July 25th, 2013 - Javier Segarra-Martí
Title: “Ionization Potentials of Water Clusters and Photochemistry of the Water Dimer”
Supervisors: Prof. Manuela Merchán and Dr. Daniel Roca-Sanjuán
Day of dissertation: July, 15th, 2011 - Angelo Giussani
Title: “On the Photophysics of the Indole Chromophore by Using a Totally Unconstrained Theoretical Approach”
Supervisors: Prof. Manuela Merchán and Dr. Daniel Roca-Sanjuán
Day of dissertation: July, 15th, 2011 - Vicenta Sauri
Title: “RASPT2: An Extended Method for Spectroscopy and Photoreactivity”
Supervisor: Prof. Luis Serrano-Andrés
In cooperation with Prof. Kristin Pierloot, University of Leuven, Belgium
Year: 2009