Francisco Alonso Gómez Mudarra – PhD Student
Secció de Química Inorgànica, Institut de Química Teòrica i Computacional
Departament de Química Inorgànica i Orgànica
Facultat de Química
C/Martí i Franquès 1-11, 08028, Barcelona (Spain)
phone number: +34 934021264
e-mail address: frank.gomez-at-qi.ub.edu
Francisco Gómez graduated in Chemistry at the University of Barcelona (UB) in 2017. During his undergraduate period, he showed great interest in the field of Computational Chemistry, the subject of his Final Degree Project (TFG). Francisco completed his training by doing a master’s degree in Applied Materials Chemistry.
In 2020 he began his doctoral studies in the field of Theoretical Chemistry and Computational Modeling at the UB thanks to an FPI scholarship. With his thesis directors, Dr. Jesus Jover and Prof. Gabriel Aullón.
Its main objective is to propose improvements for existing reactions in which precious metal catalysts (Ru, Rh, Pd, Ir, Pt, etc.) are replaced with more affordable and less toxic first series transition metal catalysts such as Ni or Cu.
Zarko Ivkovic – MsC Student
Secció de Química Inorgànica, Institut de Química Teòrica i Computacional
Departament de Química Inorgànica i Orgànica
Facultat de Química
C/Martí i Franquès 1-11, 08028, Barcelona (Spain)
phone number: +34 934021264
e-mail address: zarko.ivkovic-at-ub.edu
Žarko got his BSc in Chemistry at the University of Niš, Serbia in 2022. He was awarded the Erasmus Mundus scholarship to attend the Master in Theoretical Chemistry and Computational Modelling (TCCM) at the University of Barcelona. He is doing his master’s thesis under the supervision of Dr. Jesus Jover from the University of Barcelona and Prof. Jeremy Harvey from KU Leuven. The main objective of the thesis is to explore transfer learning for better ML models to predict NMR chemical shifts and coupling constants.
Patricia Llanés – MsC Student
Secció de Química Inorgànica, Institut de Química Teòrica i Computacional
Departament de Química Inorgànica i Orgànica
Facultat de Química
C/Martí i Franquès 1-11, 08028, Barcelona (Spain)
phone number: +34 934021264
e-mail address: patricia.llanes-at-ub.edu
Patricia graduated in Chemistry at the Universitat de Barcelona in 2022. In 2023 she started her MsC studies within the Applied Materials Chemistry Master program in the Inorganic Chemistry section under the supervision of Dr. Jesús Jover and Dr. Carolina Sañudo. Her research project combines experimental and computational techniques for studying CO2 capture and utilization in new copper(I) MOF structures.
Rafael Salmerón – MsC Student
Secció de Química Inorgànica, Institut de Química Teòrica i Computacional
Departament de Química Inorgànica i Orgànica
Facultat de Química
C/Martí i Franquès 1-11, 08028, Barcelona (Spain)
phone number: +34 934021264
e-mail address: rafael.salmeron-at-ub.edu
Rafael graduated in Chemistry at the Universitat Autònoma de Barcelona in 2022. In 2023 she started his MsC studies within the Applied Materials Chemistry Master program in the Inorganic Chemistry section under the supervision of Dr. Jesús Jover. His research project is focused in the computational analysis of the reaction mechanism of copper(I)-catalyzed N-trifluoromethylation of benzoylhidroxylamines.