Начало / Университетът / Факултети / Факултет по химия и фармация / Структура / Катедри / Органична химия и фармакогнозия / Преподаватели / Prof. Georgi N. Vayssilov, Doctor of Science in Theoretical Chemistry


Professor D.Sc. Georgi N. Vayssilov

Doctor of Science in Theoretical Chemistry

Faculty of Chemistry and Pharmacy

University of Sofia "St. Kliment Ohridski"

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

phone: +359 2 8161338

Education and academic degrees

2009 D.Sc. in Theoretical chemistry, University of Sofia

1994 Ph.D. in Organic chemistry, University of Sofia

1988 M.Sc. in Chemistry; Specialization on Chemical Physics and Theoretical Chemistry, University of Sofia "St. Kliment Ohridski"


Academic career

2009 – Professor, University of Sofia, Bulgaria

2005 – Head of the Laboratory of Organic Catalysis, University of Sofia

2003 – 2009 Associate Professor, University of Sofia, Bulgaria

2003 – 2004 Vice dean of the Faculty of Chemistry, Bulgaria

1998 – 2000 Humboldt research fellow, Technical University of Munich, Germany

1989 – 2003 Assistant Professor, University of Sofia, Bulgaria


Research interests

Quantum chemical modelling of the structure, spectral features, reactivity and applications of materials, catalysts and other chemical systems:

  • Active sites in zeolites and microporous materials;
  • Heterogeneous catalytic systems, metal or oxide clusters, solid surfaces, etc.;
  • Functional organic, bioorganic and drug molecules;
  • Ultrafast dynamics of solvated species.



  • 102 scientific publications in peer review journals,
    among them papers in Nature Materials (2), Angewandte Chemie (2), JASC (3), Advances in Catalysis (1), Catalysis Reviews (1), etc.
  • >2600 citations
  • H index 26 (WoS), 27 (Scopus)



“Applied Quantum Chemistry” for Bachelor students

“Organic chemistry” I for Bachelor students in Chemistry

“Organic chemistry” I for Master students in Pharmacy

“Hybrid QM/MM methods” for MSc students

“Zeolites and mesoporous materials” for MSc students

Supervision of PhD students in Theoretical and in Organic Chemistry


Professional and administrative service


2017 - Vice-president of the Executive Board of Bulgarian National Science Fund

2016 - Member of the Executive Board of European Science Foundation (ESF)

2015 - Honorary member of the Humboldt Union in Bulgaria

2007 - Member of the Board of Federation of European Zeolite Associations

2007 - President of Bulgarian Zeolite Association


2015 - 2017 President of the Executive Board of Bulgarian National Science Fund

2011 - 2014 President of the Federation of European Zeolite Associations, FEZA

2011 - 2015 President of the Humboldt Union in Bulgaria

2016 Co-chair and Head of Bulgarian Delegation of the 15th Bulgarian-Chinese Commission for Scientific and Technological Cooperation

2017 Co-chair and Head of Bulgarian Delegation of the Bulgarian-Austrian Commission for Scientific and Technological Cooperation

2007 - 2011 Vice-president of the Humboldt Union in Bulgaria

2003 - 2004 Vice-dean of the Faculty of Chemistry, University of Sofia


Humboldt Union in Bulgaria, Bulgarian Catalytic Club, Bulgarian Zeolite Association, American Chemical Society, American Association for Advancement of Science


Awards and fellowships

A. von Humboldt fellowship (Technical University of Munich), 1998-2000

National award “Pythagoras” of Bulgarian Ministry of Education and Science for best scholar in the field of natural sciences and mathematics, 2013


Guest professorships

University Pierre and Marie Curie, Paris, France, 2012

Institute of High Performance Computing A*STAR, Singapore, 2012, 2013


Expert activities

Member of the expert panel for Final Review of FP7-COST II Grant Agreement, 2014.

Expert and rapporteur for evaluation of project proposals and reviewer of projects for FP7 and H2020 program of the European Union.

Reviewer for Petroleum research fund (USA), FNRS (Belgium), PRACE (EU), etc.

Reviewer for peer-review scientific journals: Chem. Rev.; J. Am. Chem. Soc.; Chem. Comm.; J. Phys. Chem.; ACS Catal.; etc.

Member of the International scientific panel „Scientific Case for Future Provision From Petascale to Exascale Computing in Europe, 2012 – 2020”.


Organization of scientific events

Chair of the 7th international FEZA conference, Sofia 2017

Chairman or co-chairman of 15 international conferences or symposia in the fields of computational chemistry, zeolites, catalysis, organic chemistry, etc.

Member of the International Scientific Boards of 3 international congresses and conferences – FEZA conferences in 2011 and 2014, IZA conference in 2013, Europe-Asia Zeolite conference in 2013.

Chairman of the annual National conferences in Chemistry for student and PhD students (since 2001)


Short visits

University of Cambridge, UK, 2017

University of South Carolina, USA, 2015

University of Barcelona, Spain, 2009, 2010, 2011, 2013, 2016

Technical University of Munich, Germany, 2002, 2003, 2004, 2005, 2015

Berkley National Lab, Berkley, USA, 2002

Technical University of Eindhoven, the Netherlands, 1996

University of Leipzig, Germany, 1995



Project coordinator of Horizon 2020 project “Materials Networking” (Twinning, 2016-2019, participants: Univ. Cambridge, Univ. Barcelona, MPIP Mainz)

Project leader of >10 national and bilateral projects

Work package leader of FP7 projects and national WP leader of PRACE project (Pan-European project for high performance computing)

Member of management committee of two FP7 projects and one COST action


Main international and national collaborations

Notker Rösch; Technical University of Munich, Germany, and Institute of High Performance Computing A*STAR, Singapore

Konstantin I. Hadjiivanov; Institute of General and Inorganic Chemistry, Bulgaria

Konstantin Neyman, Francesc Illas;University of Barcelona and ICREA, Spain

Jörg Libuda; University of Erlangen-Nürnberg, Germany

Oleg Alexeev, Michael Amiridis; University of South Carolina, USA

Valentin Valtchev, Svetlana Mintova; University of Caen, France



Full list of research papers is available online at the following web sites:





Selected publications

1. J. Grand, S. N. Talapaneni, A. Vicente, C. Fernandez, E. Dib, H. A. Aleksandrov, G. N. Vayssilov, R. Retoux, P. Boullay, J.-P. Gilson, V. Valtchev and S. Mintova

“One-pot synthesis of silanol-free nanosized MFI zeolite”

Nature Mater, 16, 1010–1015 (2017).

2. K. Khivantsev, A. Vityuk, H. A. Aleksandrov, G. N. Vayssilov, D. Blom, O. S. Alexeev, M. D. Amiridis

“Synthesis, Modeling, and Catalytic Properties of HY Zeolite Supported Rhodium Dinitrosyl Complexes”

ACS Catal. 7, 5965-5982 (2017).

3. M. Y. Mihaylov, E. Z. Ivanova, H. A. Aleksandrov, P. St. Petkov, G. N. Vayssilov, K. I. Hadjiivanov

“FTIR and density functional study of NO interaction with reduced ceria: Identification of N3 and NO2− as new intermediates in NO conversion.”

Appl. Catal. B Environmental 176, 107-119 (2015).

4. H. A. Aleksandrov, S. M. Kozlov, S. Schauermann, G. N. Vayssilov, K. M. Neyman

“How Absorbed Hydrogen Affects the Catalytic Activity of Transition Metals.”

Angewandte Chemie 53, 13371-13375 (2014).

5. G. N. Vayssilov, Y. Lykhach, A. Migani, T. Staudt, G. P. Petrova, N. Tsud, T. Skála, A. Bruix, F. Illas, K. C. Prince, V. Matolín, K. M. Neyman, J. Libuda

„Support Nanostructure Boosts Oxygen Transfer to Catalytically Active Platinum Nanoparticles”

Nature Mater. 10, 310-315 (2011).

6. G. N. Vayssilov, B. C. Gates, N. Rösch

„Oxidation of Supported Rhodium Clusters from Surface Hydroxyl Groups of the Support”

Angewandte Chemie, 42, 1391-1394 (2003).

7. K. I. Hadjiivanov, G. N. Vayssilov

„Characterization of Oxide Surfaces and Zeolites by Carbon Monoxide as an IR Probe Molecule"

Advances in Catalysis, 47, 307-511 (2002).