Our aim is to elucidate various chemical, physical and biological processes from the theoretical perspective using mainly computational approaches implemented for high performance computing, as well as theoretical methods that have constant feed-back to experimental IR and NMR spectroscopy. We focus on problems in molecular pharmacology, drug design, chemical informatics, molecular biophysics, soft matter, materials optimization...
Fundamental research and development of advanced analytical methodologies, novel tools and sensors for (i) chemical analysis of (trace) elements, characterization of compounds, materials and processes, (ii) their application in topical areas of (a) environmental protection, (b) health and food safety and (c) materials research, and (iii) supporting collaboration with industrial partners.
Main research areas comprise development of new synthetic methodologies with the focus on controlled ring-opening polymerization to prepare polymers for application in various biomedical fields, highly porous polymers capable of CO2 capture or waste-water treatment by photo-oxidation and other advanced applications, conventional thermoplastic nanocomposites, study of environmental pollution by plastic and development of new recycling approaches of polymeric materials.
Design and development of functionalized inorganic catalysts and adsorbents for energy and environmental applications. The focus is on in-depth research of structure-property relationship (research to the degree of "proof of concept"), with a special emphasis on the development and use of methods for the characterization of materials during their operation (in-situ and operando approaches).
Research in Department for Materials Chemistry focuses on synthesis, characterization and development of advanced materials for sustainable, low carbon energy solutions. The main research areas comprise (i) advanced battery materials, (ii) coating development and (iii) synthesis and characterization of electrocatalysts. In order to better understand the properties and functioning of these materials, we also develop our own spectroscopic, microscopic and electrochemical methods.
We study interactions between biological molecules at the molecular level by using biochemical, biophysical and structural approaches, to understand their mechanism of action as well as possibilities for application in (nano)biotechnology.
Research of the molecular mechanism of molecular recognition and signaling in innate immune response, drug design and synthetic biology.
Department of Catalysis and Chemical Reaction Engineering is primarily invested in chemical (process) engineering, reactor and unit operation design and construction, as well as multi-scale process modelling. The Department topics foremost include carbon dioxide and natural gas conversion, hydrogen and fuel cell technologies, biomass valorisation to bio-based compounds, and (bio)pharmaceutical processes.
Slovenian NMR centre is a national facility offering access and expertise in NMR to users in academic and industrial institutions. In addition, it combines scientific activities of two groups engaged in: (i) studies of structure and dynamics of biologically important (macro)molecules, and (ii) development of soluble metal-ligand complexes that are able to catalyze asymmetric organic transformations.
The establishment of the DUBT Center project is financed by the Ministry of Higher Education, Science and Innovation from the Just Transition Fund. The aim of the project is to establish a center with cutting-edge research infrastructure in the field of battery and hydrogen technology development at the site of the new research unit of the National Institute of Chemistry in Zasavje, which will significantly contribute to the comprehensive restructuring of the former coal region.