Since 2015, SIMUNE is participating as an Organization Partner in a European ITN, within the Marie Programme Skłodowska-Curie Actions for the development of a European Joint Doctorate on Theoretical Chemistry and Computational Modelling (TCCM) (Innovative Training Network). Today, the PhD student Andi Cuko defended the first thesis of the ITN. His thesis was granted with the maximum rate by the Universities of Sorbonne and Barcelona. Congratulations to Andi and his supervisors!

During his PhD, Andi Cuko completed a secondment at SIMUNE focused on the characterization with SIESTA code of the cohesive energy of a set of titanium dioxides (TiO2) and titanosilicate oxides ((TiO9)x(SiO2)x) of very different system sizes. Andi’s study probed the quality of pseudopotentials and basis sets for SIESTA generated and optimized by SIMUNE.

Notes: Visit our pseudo and basis set database