gregor mali

Gregor Mali




(01) 47-60-412

Gregor Mali obtained his PhD degree in physics at the Faculty of Mathematics and Physics, University of Ljubljana, in 2001. After doctoral studies he was employed as a post-doc and research associate at the National Institute of Chemistry in Ljubljana. In 2007 he was a guest researcher at Tectospin, Institute Lavoisier in Versailles. Currently he is a senior researcher at the National Institute of Chemistry in Ljubljana. He is also associated professor of physics at the University of Nova Gorica.

Gregor Mali works on the development and application of solid-state NMR methods for the investigation of structure and function of porous materials. He uses NMR spectroscopy also for the investigation of promising new materials for batteries and for structural analyses of solid pharmaceuticals from the local pharamaceutical companies. He combines state-of-the-art solid-state NMR experiments (MAS, CRAMPS, MQMAS, QCPMG, heteronuclear and homonuclear correlation experiments) with ab-initio calculations of NMR-detectable parameters (chemical shielding and electric-field-gradient tensors in diamagnetic materials, and Fermi-contact and pseudo-contact shifts in paramagnetic materials).

Gregor Mali has published more than 60 articles in peer-reviewed journals and presented more than ten invited lectures at international scientific meetings. He has trained three PhD students and is currently mentor to another two PhD students. He has been a project leader for several national basic research projects, for two projects funded by the European funds for regional development, and for several bilateral projects between the group from the National Institute of Chemistry in Ljubljana and the groups from France and Croatia. He is a member of Groupement AMPERE, a member of the Pregel Award Committee at the National Institute of Chemistry (for outstanding doctoral work), and a member of the Editorial Board of ChemistrySelect (Wiley).



A. Krajnc, T. Kos, N. Zabukovec Logar, G. Mali
A simple NMR-based method for studying the spatial distribution of linkers within mixed-linker metal-organic frameworks.
Angew. Chem., 2015, 54 (36), 10535-10538
Web access at Wiley Online Library


G. Mali, J. Trebosc, C. Martineau, M. Mazaj
Structural study of Mg-based metal-organic frameworks by X-ray diffraction, 1H, 13C and 25Mg solid-state NMR spectroscopy, and first-principles calculations
J. Phys. Chem. C, 2015, 119 (14), 7831-7841
Web access at ACS Publications


G. Mali, M.U.M. Patel, M. Mazaj, R. Dominko
Stable crystalline forms of Na polysulfides : experiment versus ab initio computational prediction
Chemistry, 2016, 22 (10), 3355-3360
Web access at Wiley Online Library


T. Ukmar, T. Čendak, M. Mazaj, V. Kaučič, G. Mali
Structural and dynamical properties of indomethacin molecules embedded within the mesopores of SBA-15: a solid-state NMR view.
J. Phys. Chem. C, 2012, 116 (4), 2662-2671
Web access at ACS Publications


G. Mali, A. Meden, R. Dominko
6Li MAS NMR spectroscopy and first-principles calculations as a combined tool for the investigation of Li2MnSiO4 polymorphs.
Chem. Commun., 2010, 19, 3306-8
Web access at Publishing.