Training of students to prepare themselves for a successful career in academic life or industry is
one of the most challenging and at the same time rewarding experiences.
We are
always looking for new motivated and talented members of our research group,
either to work in my group or visit my lab; please contact me for more information.
Current PhD thesis studies
Jonnely Luizaga
Enzyme design through QM/MM calculations
Defense: 2026
Supervisors:
Sílvia Osuna, M. Swart
PhD student (2023-2026)
MSc student (2023)
Undergrad PE student (2022)
Undergrad TFG student (2021)
Athul Santha Bhaskaran
Nanomaterials and Density Functional methods
Defense: 2026
Supervisors:
Maja Gruden, M. Swart
PhD student
(2023-2026)
Faiza Ahsan
Activation of inert C-H bonds of methane by methane monooxygenase enzymes and synthetic complexes: a computational chemistry study
Defense: 2025
Supervisor: M. Swart
PhD student
(2022-2025)
Rosa Mollfulleda
Correlating functionality: DFT and organometallic chemistry
Defense: 2026
Supervisors:
Maja Gruden, M. Swart
PhD student (2022-2026)
MSc student (2022)
Undergrad TFG student (2021)
PhD theses supervised
Frederico Martins
Density functional theory to the rescue of transition-metal chemistry
Defense: 09.10.2023
Supervisor: M. Swart
Lorenzo D'Amore
Enzymatic and bioinspired iron oxidation chemistry: a computational study
Defense: 10.12.2021
Supervisors:
Sílvia Osuna, M. Swart
Miguel Angel María-Solano
Computational studies of the conformational landscape of allosteric and enantioselective enzymes
Defense: 12.02.2021
Supervisors:
Sílvia Osuna, M. Swart
Filip Vlahovic
Application of methods based on Density Functional Theory, for studying electronic states of aqua- and oxo- first row transition metal complexes
Defense: 17.08.2020
Supervisors:
Maja Gruden, M. Swart
Adrià Romero
Computational studies of enzymatic and biomimetic catalysts
Defense: 18.12.2018
Supervisors:
Sílvia Osuna, M. Swart
Stepan Stepanovic
Density functional approximations for spin state energetics in transition-metal complexes
Defense: 25.05.2018
Supervisors:
Maja Gruden, M. Swart
Abril Castro
Computational study of nuclear magnetic resonance shielding constants
Defense: 17.11.2017
Supervisor: M. Swart
Sílvia Osuna
Theoretical studies of the exohedral reactivity of fullerene compounds
Defense: 26.03.2010
Premi Extraordinari 2011
·
Supervisors: M. Solà, M. Swart
Mireia Güell
Theoretical studies of systems of biochemical interest containing Fe and Cu transition metals
Defense: 30.07.2009
Premi Extraordinari 2010
·
Supervisors: M. Solà, J.M. Luis, M. Swart
