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Computational Photobiology Lab

Teaching on embedding methods and energy transfer

By carlescurutchet on February 28, 2018December 2, 2021

Last week Marina and Carles, together with Toni, Ph.D. student of Prof. Luque, assisted to the the traditional Workshop on Theoretical Chemistry held every year in Mariapfarr, a nice town in Austria typically full of snow during winter. This year the workshop focused on Modelling of Environment Effects in Quantum Chemistry, and was scientifically organized by our collaborator Prof. Mennucci from the University of Pisa together with an excellent practical organization held by Anne-Marie Kelterer from the Graz University of Technology. Carles gave a course on polarizable embedding QM/MM methods, which complemented other courses on general QM/MM by Jeremy Harvey (Leuven), continuum models by Benedetta Mennucci (Pisa) and DFT embeddings by Johannes Neugebauer (Münster). It was a nice week in a relaxed environment to exchange ideas on embedding methods, which ended with Friday minisymposium, where Toni presented the last advances on the multilevel strategy developed in the CBDD group to study the conformational preferences of small molecules.

Last year, Carles also gave courses on embedding methods and energy transfer processes in the IV Brazilian School on Molecular Modelling held in the Federal University of ABC (Santo André, SP) and in the 33rd Winter School of Theoretical Chemistry organized every year at the University of Helsinki.

 

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