Sonja Grubišić


WG2 Leader

Sonja Grubišić:
Categories: Leadership, WG2

Dr. Sonja Grubišić is a full research professor at the Department of Chemistry of the Institute of Chemisty, Technology and Metallurgy. She received her MSc and PhD degrees in computational chemistry from the University of Belgrade in 2001 and 2005, respectively. Her professional expertise developed particularly during her two postdoctoral periods of residence in Padua (Dipartimento di Fisica e Astronomia ‘Galileo Galilei’) and Pisa (Scuola Normale Superiore). She was teaching Computational Chemistry, General and Inorganic Chemistry, Solid State Chemistry and Coordination Chemistry at the University of Belgrade for many years.

In theoretical and computational chemistry,  her main scientific interests concerns modeling of stereochemically and/or biologically important molecular systems by means of both quantum mechanical and classical approaches, particularly the development of force field parameters for the description of molecular structures, essentially for life sciences applications. Besides, her research interests include development of novel nanoporous materials for  energy and environmental applications, adsorption separation, diffusion in nanoporous materials and catalysis. She has supervised several PhD students, which have been successfully continued their scientific  carriers. In 2021 she was appointed as the Guest Editor for Frontiers in Chemistry (Themed collection: Computational Methods for the Description of Intermolecular Interactions and Molecular Motion in Confining Environments). In relation to the COST activities, she has served as Short term scientific mission coordinator of  the COST Action CM1405 MOLIM (Molecules in Motion) and has taken part in 4 COST Actions as a menagement committee member. More details can be found at:

Selected publications:

  1. Sonja Grubišić, Rahma Dahmani, Ivana Djordjevic, Milica Sentic, Majdi Hochlaf, Selective adsorption of sulphur dioxide and hydrogen sulphide by metal–organic frameworks, Physical Chemistry Chemical Physics (2022) DOI: 10.1039/D2CP04295A.
  2. Sonja Grubišić, Giuseppe Brancato and Vincenzo Barone, An improved AMBER force field for α, α dialkylated peptides: intrinsic   and   solvent-induced conformational preferences of model systems, Physical Chemistry Chemical Physics (2013) 15 (48) 17395-17407.
  3. Pier Luigi Silvestrelli, Alberto Ambrosetti, Sonja Grubisic, Francesco Ancilotto, Adsorption of rare-gas atoms on Cu(111) and Pb(111) surfaces by van der Waals-corrected   density functional theory  Phys Rev B  (2012), 85,  165405.
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