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Prof. Dr. Petko Petkov

Sofia University “St. Kl. Ohridski”, Faculty of Chemistry and pharmacy

Department of Organic chemistry and pharmacognosy, room 610

1 J. Baurchier blvd, 1164, Sofia, Bulgaria

Phone: +359 2 8161 433

e-mail: ppetkov@chem.uni-sofia.bg

web: https://www.researchgate.net/profile/Petko_Petkov3


2009 – PhD in Theoretical chemistry, Sofia University, Sofia, Bulgaria

2004 – MSc. Computational and Theoretical chemistry master program, Sofia University, Sofia, Bulgaria

2002 – BSs. Chemistry, Sofia University, Sofia, Bulgaria


Professional positions

2021 – Professor in theoretical chemistry at the Faculty of Chemistry and Pharmacy, Sofia University, Sofia, Bulgaria

2018 – 2021 Associate Professor in theoretical chemistry at the Faculty of Chemistry and Pharmacy, Sofia University, Sofia, Bulgaria

01.02.2018 – 31.06.2018: Invited lecturer in “Go!Green Inter Applied Chemistry Program” at Gdansk University of Technology, Poland (https://chem.pg.edu.pl/iac/semester-2).

2009 –2018 Assistant Professor at the Faculty of Chemistry and Pharmacy, Sofia University, Sofia, Bulgaria


Specializations abroad

Scientific assistant, Wilhelm Ostwald Institute of Physical and Theoretical Chemistry, University of Leipzig, Germany, group of prof. Thomas Heine (01.02.2016 –01.02. 2017)

PostDoc , Jacobs University Bremen, Germany, group of prof. Thomas Heine (01.02.2014-01.02.2016)


Short term visits (up to 6 months)

University of Barcelona, Spain, group of prof. Konstantin Neyman (2012)

Jacobs University Bremen, Germany, group of prof. Thomas Heine (2010 г.)

TU-Muenchen, Germany, group of prof. Notker Roesch (2004, 2006, 2013)


Organization of scientific events

Member of the organizing committee of 7th FEZA Conference, July, 3-7, 2017, Sofia, Bulgaria

Member of the organizing committee of 1-st to 17-th National Scientific Conference on Chemistry for Students and PhD-students, organized in Faculty of Chemistry and Pharmacy, University of Sofia

Member of the local organizing committee of 1-st to 4-th International Humboldt Conference on Computational Chemistry.


Research Area

Nano and sub-nanosized transition metal particles on support and in gas phase, Ab-initio molecular dynamic simulations, Hydrogen bonding, Zeolites and Functional porous materials (MOFs, COFs).



Management and administration of HPC Linux clusters and software for quantum chemistry calculations. Lectures, laboratory exercises and seminars in Organic chemistry and applied quantum chemistry.


Selected publications (up to 5)

Yang, C.; Dong, R.; Wang, M.; Petkov, P. S.; Zhang, Z.; Wang, M.; Han, P.; Ballabio, M.; Bräuninger, S. A.; Liao, Z.; Zhang, J.; Schwotzer, F.; Zschech, E.; Klauss, H. H.; Cánovas, E.; Kaskel, S.; Bonn, M.; Zhou, S.; Heine, T.; Feng.; X.; A Semiconducting Layered Metal-Organic Framework Magnet. Nature Communication. 2019, 10 (1).

Dong, R.; Han, P.; Arora, H.; Ballabio, M.; Karakus, M.; Zhang, Z.; Shekhar, C.; Adler, P.; Petkov, P. S.; Erbe, A.; Mannsfeld, S. C. B.; Felser, C.; Heine, T.; Bonn, M.; Feng, X.; Cánovas, E. High-Mobility Band-like Charge Transport in a Semiconducting Two-Dimensional Metal–Organic Framework. Nature Materials. 2018, 17 (11), 1027–1032.

Matias R. Fagiani, Xiaowei Song, Petko Petkov, Sreekanta Debnath, Sandy Gewinner, Wieland Schöllkopf, Thomas Heine, André Fielicke, Knut R. Asmis: Structure and Fluxionality of B 13 + Probed by Infrared Photodissociation Spectroscopy. Angewandte Chemie International Edition 12/2016;, DOI:10.1002/anie.201609766

Stefan Friedländer, Jinxuan Liu, Matt Addicoat, Petko Petkov, Nina Vankova, Robert Rüger, Agnieszka Kuc, Wei Guo, Wencai Zhou, Binit Lukose, Zhengbang Wang, Andreas Pöppl, Michael Ziese, Thomas Heine, Christof Wöll: Linear Chains of Magnetic Ions Stacked with Variable Distance: Ferromagnetic Ordering with a Curie Temperature above 20 K. Angewandte Chemie International Edition in English 07/2016; accepted., DOI:10.1002/anie.201606016

Rahul Banerjee, Arijit Mallick, Bikash Garai, Matthew A. Addicoat, Petko St. Petkov, Thomas Heine: Solid State Organic Amine Detection in a Photochromic Porous Metal Organic Framework. Chemical Science 12/2014; 6(2)., DOI:10.1039/C4SC03224A

Petko St Petkov, Georgi N Vayssilov, Jinxuan Liu, Osama Shekhah, Yuemin Wang, Christof Wöll, Thomas Heine: Defects in MOFs: A Thorough Characterization. ChemPhysChem 06/2012; 13(8):2025-9., DOI:10.1002/cphc.201200222

Detailed information: ResearcherID R-4168-2016, ScopusID: 57209563597, https://www.researchgate.net/profile/Petko-Petkov


Lectures and courses at the Sofia University

Organic chemistry

Computational modeling of organic compounds

Hybrid (QM/MM) methods

Introduction to Linux and scripting in Bash

Molecular modeling of functional materials