Zenfolio | D. Balcells Research :: Computational Chemistry | Research stay at the group of Carme Rovira (University of Barcelona)

Research stay at the group of Carme Rovira (University of Barcelona)

January 11, 2015  •  Leave a Comment

With the aim of promoting my current Marie Curie project on catalytic water oxidation, I did a short research stay of 3 months at the University of Barcelona (UB). I was in the group of Carme Rovira, where I learned the fundamentals of molecular dynamics methods applied to the simulation of solvation structures. Several methods, including MM (AMBER), QM (CPMD) and QM/MM (CPMD-GROMOS), were used. During this time I also gave an invited talk at the Symposium in honor of Odile Eisenstein (17/11/14; Montpellier, France) and two Department seminars at the UB and UAB Universities (12/14; Barcelona, Spain). The costs of this stay were funded by the UiO energy initiative.


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