Dr Daniel Reta
Daniel Reta is an Ikerbasque Research Associate at The University of the Basque Country and Donostia International Physics Centre. He obtained his PhD from The University of Barcelona in 2016 working with Prof. Francesc Illas and Prof. Iberio Moreira. He then moved to The University of Manchester as a postdoctoral research associate, first with Prof. Nikolas Kaltsoyannis and subsequently with Prof. Nicholas Chilton, where he worked on the description of spin dynamics in single-molecule magnets. His current research focuses on the magnetic and reactivity properties of organic radicals, merging computational and spectroscopic approaches.
In 2023 he obtained an ERC Starting Grant to work on the design of organic molecules as platforms for reversible charge-to-spin conversion with applications in chromophore optimisation and drug discovery, under the project RadicalProtON.
Further info in Google Scholar, Orcid and GitLab profiles.
Dr Shivaprasad A. Balahoju - PostDoc (2023 - current)
Shivaprasad Achary Balahoju completed his Ph.D. from CSIR-Indian Institute of Chemical Technology, Hyderabad, India (2018) under the supervision of Dr. Lingamallu Giribabu. He then moved to Poland for three years as a PostDoc in the group of Prof. Marcin Stepien at the University of Wroclaw and later took up a Guest researcher position at Dr. L. Giribabu's Lab at CSIR-IICT, India, as well as a guest lecturer as an Organic chemistry teacher at Palamuru University.
His main focus of research is Donor-Acceptor organic molecules for optoelectronic applications, and Pi-extended porphyrin/Corrole macrocycles. Currently, he is working on Donor-Acceptor organic diradical systems funded by the DIPC.
Hanae Boulehjour – PhD student (2023 - current)
Hanae Boulehjour is a PhD student at the University of the Basque Country and Donostia International Physics Centre working with Dr. Daniel Reta and Dr. Andoni Zabala-Lekuona. She obtained her Master’s degree at the University of Bordeaux (France). Her current research focuses on dilanthanide systems as potential qubits, involving computational and coordination chemistry methods, funded by the IKUR strategy.
Previous group members
Manuel Perez - DIPC Summer Internship (2022)
Manuel spent two months in the group as a DIPC summer intern working on the computational description of diradical formation in a series of organic molecules. In this time, he applied DFT-based methods to describe the thermodynamics of the process, as well as simulate the experimental UV-VIs spectra of the compounds. Manuel went on to a PhD with Prof Enrique Orti in Valencia.
Konstantin Andreev - Last year project (2022)
Co-supervised by Dr Navaridas (UPV/EHU), Konstantin’s last year project in computer science looked at the possibilities to migrate the program CCFIT2 to a web App.