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Szczepanik Research Group

K. Guminski Department of Theoretical Chemistry
Faculty of Chemistry, Jagiellonian University in Cracov
Gronostajowa 2, 30-387 Krakow, Poland
E-mail: dariusz.szczepanik@uj.edu.pl

We develop modern computational tools to assess the
resonance bonding structure of π-conjugated systems.

  Current Members

Dariusz Wojciech Szczepanik	Marcin Andrzejak	Ouissam El Bakouri El Farri
(Principal Investigator)	(Senior Researcher)	(Postdoc)
0000-0002-2013-0617	0000-0002-1798-7249	0000-0002-4019-3754

Mikolaj Dratwinski	Weronika Sitkowska	Pawel Wieczorkiewicz	Joanna Zams
(PhD Student)	(MSc Student)	(PhD Student)	(PhD Student)

  About Dariusz

        Scientific Interests

• Information theory and entropy representation of the electron correlation effects.
  
  • Shannon's algebra of the molecular communication channels:    URL 
  • The maximum information-entropy principles in the electronic-structure theory:    URL 
• Mathematical chemistry and computational methods in quantum chemistry.
  
  • Markov's stationarity of the 2nd orderd density matrices:    URL 
  • The asymmetric orthogonalization schemes:    URL 
• Quantum theory of chemical bonding, resonance, and reactivity.
  
  • Correlation Analysis of Chemical Bonds (CACB):    URL 
  • Bond Orbital Projection (BOP):    URL 
  • Electron Density of Delocalized Bonds (EDDB):    URL 
  • Electron Delocalization Function (EDF):    URL 

        Career and Education

1. Research Group of Thermodynamics and Dynamics of Chemical Reactions, Department of Theoretical Chemistry (UJ).
   
   Position: Adiunct with habilitation( 2020 - ).
2. DiMoCat group of the Institute of Computational Chemistry and Catalysis (Universitat de Girona, Girona, Spain).
   
   Position: Postdoctoral Researcher ( 2015 - 2016 and 2018 - 2020 ).

• Habilitation - Faculty of Chemistry, Jagiellonian University (2022).
  
  "Electron density of delocalized bonds as a universal tool for assessing global and local effects of chemical resonance"
• PhD in Theoretical Chemistry (with distinction) - Department of Theoretical Chemitry, Jagiellonian University (2013).
  
  "Probabilistic models of the chemical bond in function spaces" (supervisor: dr hab. Janusz Mrozek)
• MSc in Computational Chemistry - Department of Computational Methods in Chemitry, Jagiellonian University (2008).
  
  "Entropic bond indices from information theory" (supervisor: dr hab. Janusz Mrozek)

        Selected Awards and Stipends

• Individual Jagiellonian University Rector's Award for Academic Achievement ( 2022 ).
• Mieczyslaw G. Bekker's Stipend, National Agency for Academic Exchange ( 2019 - 2021 ).
• Marie Skłodowska-Curie Individual Fellowship, European Commission ( 2018 - 2020 ).
• Scholarship for Outstanding Young Scientists, Polish Minister of Science and Higher Education ( 2018 - 2021 ).
• HPC-Europa3 Mobility Fellowship, European Commission ( 2016 - 2017 ).
• DiMoCat Mobility Fellowship, Generalitat de Catalunya ( 2015 - 2016 ).
• START Stipend for Talented Researchers Before 30, Foundation for Polish Science ( 2015 - 2016 ).
• Honored doctoral dissertation ( 2013 ).
• The Jagiellonian University Rector's Pro-quality scholarship for the top PhD Candidates ( 2012 - 2013 ).
• The Jagiellonian University (UJ) Rector's scholarship for outstanding PhD students ( 2012 - 2013 ).
• The competitive T-donations for PhD candidates from Jagiellonian University ( 2011 - 2013 ).