Research/art/teacher profile of a person
Name and surname:
doc. Mgr. Michal Pitoňák, PhD.
Document type:
Research/art/teacher profile of a person
The name of the university:
Comenius University Bratislava
The seat of the university:
Šafárikovo námestie 6, 818 06 Bratislava

I. - Basic information

I.1 - Surname
Pitoňák
I.2 - Name
Michal
I.3 - Degrees
Doc. Mgr. PhD.
I.4 - Year of birth
1979
I.5 - Name of the workplace
Department of Physical and Theoretical Chemistry, Faculty of Natural Sciences, Comenius University in Bratislava
I.6 - Address of the workplace
Ilkovičova 6, 842 15 Bratislava
I.7 - Position
associate professor
I.8 - E-mail address
michal.pitonak@uniba.sk
I.9 - Hyperlink to the entry of a person in the Register of university staff
https://www.portalvs.sk/regzam/detail/5499
I.10 - Name of the study field in which a person works at the university
Computational Chemistry
I.11 - ORCID iD
http://orcid.org/0000-0002-0601-9488

II. - Higher education and further qualification growth

II.1 - First degree of higher education
II.a - Name of the university or institution
Faculty of Natural Sciences, Comenius University in Bratislava
II.b - Year
2001
II.c - Study field and programme
Chemistry
II.2 - Second degree of higher education
II.a - Name of the university or institution
Faculty of Natural Sciences, Comenius University in Bratislava
II.b - Year
2003
II.c - Study field and programme
Chemistry, specialization: Physical Chemistry
II.3 - Third degree of higher education
II.a - Name of the university or institution
Faculty of Natural Sciences, Comenius University in Bratislava
II.b - Year
2006
II.c - Study field and programme
Chemical Physics
II.4 - Associate professor
II.a - Name of the university or institution
Faculty of Natural Sciences, Comenius University in Bratislava
II.b - Year
2015
II.c - Study field and programme
Theoretical and Computational Chemistry
II.5 - Professor
II.6 - Doctor of Science (DrSc.)

III. - Current and previous employment

III.a - Occupation-position III.b - Institution III.c - Duration
Post-doc/Researcher Faculty of Natural Sciences, Comenius University in Bratislava 2006
Post-doc/Researcher Institute of Organic Chemistry and Biochemistry, Prague, Czech Academy of Sciences 2007-2010
Research fellow Faculty of Natural Sciences, Comenius University in Bratislava 2008-2015
Associate professor Faculty of Natural Sciences, Comenius University in Bratislava 2015-

IV. - Development of pedagogical, professional, language, digital and other skills

V. - Overview of activities within the teaching career at the university

V.1 - Overview of the profile courses taught in the current academic year according to study programmes
V.1.a - Name of the profile course V.1.b - Study programme V.1.c - Degree V.1.d - Field of study
Chemical modeling Chemistry converse I. Chemistry
Advanced numerical mathematics and programming Theoretical and Computational Chemistry II. Chemistry
Selected topics from theoretical and computational chemistry (1) Theoretical and Computational Chemistry II. Chemistry
Modern computational methods in quantum chemistry Theoretical and Computational Chemistry III. Chemistry
Theoretical chemistry Theoretical and Computational Chemistry III. Chemistry
Chemical reactivity Theoretical and Computational Chemistry III. Chemistry
V.2 - Overview of the responsibility for the delivery, development and quality assurance of the study programme or its part at the university in the current academic year
V.2.a - Name of the study programme V.2.b - Degree V.2.c - Field of study
Theoretical and Computational Chemistry II. Chemistry
Theoretical and Computational Chemistry III. Chemistry
V.3 - Overview of the responsibility for the development and quality of the field of habilitation procedure and inaugural procedure in the current academic year
V.4 - Overview of supervised final theses
V.4.1 - Number of currently supervised theses
V.4.a - Bachelor's (first degree)
1
V.4.b - Diploma (second degree)
0
V.4.c - Dissertation (third degree)
1
V.4.2 - Number of defended theses
V.4.a - Bachelor's (first degree)
1
V.4.b - Diploma (second degree)
1
V.4.c - Dissertation (third degree)
2
V.5 - Overview of other courses taught in the current academic year according to study programmes
V.5.a - Name of the course V.5.b - Study programme V.5.c - Degree V.5.d - Field of study
Bachelor thesis from theoretical a computational chemistry (1) Chemistry; Chemistry converse; Biochemistry; Biochemistry converse I. Chemistry
Bachelor thesis from theoretical a computational chemistry (2) Chemistry; Chemistry converse; Biochemistry; Biochemistry converse I. Chemistry
Exercises for bachelor thesis from theoretical a computational chemistry (2) Chemistry; Chemistry converse; Biochemistry; Biochemistry converse I. Chemistry
Chemical modeling Chemistry; Chemistry converse; Biochemistry; Biochemistry converse I. Chemistry
What is physical and theoretical chemistry? Chemistry I. Chemistry
Introduction to mathematical processing of chemical data Chemistry; Chemistry converse I. Chemistry
Selected practice in chemistry Chemistry; Chemistry converse; Biochemistry; Biochemistry converse I. Chemistry
Basics of programming in chemistry Physical Chemistry; Theoretical and Computational Chemistry II. Chemistry
Advanced numerical mathematics and programming Physical Chemistry; Theoretical and Computational Chemistry II. Chemistry
Selected topics from physical chemistry Teaching chemistry in combination II. Teacher training and education science
Selected topics from theoretical and computational chemistry (1) Physical Chemistry; Theoretical and Computational Chemistry II. Chemistry
Chemical Reactivity Physical Chemistry III. Chemistry
Doctoral seminary from theoretical chemistry (1) Theoretical and Computational Chemistry III. Chemistry
Doctoral seminary from theoretical chemistry (2) Theoretical and Computational Chemistry III. Chemistry
Doctoral seminary from theoretical chemistry (3) Theoretical and Computational Chemistry III. Chemistry

VI. - Overview of the research/artistic/other outputs

VI.1 - Overview of the research/artistic/other outputs and the corresponding citations
VI.1.1 - Number of the research/artistic/other outputs
VI.1.a - Overall
115
VI.1.b - Over the last six years
17
VI.1.2 - Number of the research/artistic/other outputs registered in the Web of Science or Scopus databases
VI.1.a - Overall
53
VI.1.b - Over the last six years
8
VI.1.3 - Number of citations corresponding to the research/artistic/other outputs
VI.1.a - Overall
4757
VI.1.b - Over the last six years
1203
VI.1.4 - Number of citations registered in the Web of Science or Scopus databases
VI.1.a - Overall
4757
VI.1.b - Over the last six years
1203
VI.1.5 - Number of invited lectures at the international, national level
VI.1.a - Overall
3
VI.1.b - Over the last six years
0
VI.2 - The most significant research/artistic/other outputs
1

Stabilization and Structure Calculations for Noncovalent Interactions in Extended Molecular Systems Based on Wave Function and Density Functional Theories; Riley, KE; Pitonak, M; Jurecka, P; Hobza, P; Chem. Rev. 110 (9) 5023-5063, 2010; DOI: 10.1021/cr1000173

2

Scaled MP3 Non-Covalent Interaction Energies Agree Closely with Accurate CCSD(T) Benchmark Data; Pitonak, M; Neogrady, P; Cerny, J; Grimme, S; Hobza, P; ChemPhysChem 10 (1) 282-289, 2009 ; DOI: 10.1002/cphc.200800718

3

Accuracy of Quantum Chemical Methods for Large Noncovalent Complexes; Sedlak, R; Janowski, T; Pitonak, M; Rezac, J; Pulay, P; Hobza, P; J. Chem. Theory Comput. 9 (8) 3364-3374, 2013; DOI: 10.1021/ct400036b

4

A Transferable H-Bonding Correction for Semiempirical Quantum-Chemical Methods; Korth, M; Pitonak, M; Rezac, J;Hobza; P, J. Chem. Theory Comput. 6 (1) 344-352, 2010; DOI: 10.1021/ct900541n

5

On the Structure and Geometry of Biomolecular Binding Motifs (Hydrogen-Bonding, Stacking, X-H center dot center dot center dot pi): WFT and DFT Calculations; Riley, KE; Pitonak, M; Cerny, J; Hobza, P; J. Chem. Theory Comput. 6 (1), 66-80, 2010; DOI:10.1021/ct900376r.

VI.3 - The most significant research/artistic/other outputs over the last six years
1

Assessment of scalar relativistic effects on halogen bonding and σ-hole properties; Kolář, MH; Suchá, D; Pitoňák, M; Int. J. Quant. Chem. 120 (23) e26392, 2020; DOI: 10.1002/qua.26392

2

On the applicability of the MP2.5 approximation for open-shell systems. Case study of atmospheric reactivity; Suliman, S; Pitoňák, M; Černušák, I; Louis, F; Comp. and Theor. Chem. 1186 112901, 2020; DOI: 10.1016/j.comptc.2020.112901

3

Machine learning prediction of 3CLpro SARS-CoV-2 docking scores; Bucinsky, L; Bortnak, D; Gall, M; Matuska, J; Milata, V; Pitonak, M; Steklac, Marek); Vegh, D; Zajacek, D; Comp. Bio. and Chem. DOI: 98 107656 2022; DOI: 10.1016/j.compbiolchem.2022.107656

4

Molecular docking and machine learning affinity prediction of compounds identified upon softwood bark extraction to the main protease of the SARS-CoV-2 virus; Jablonsky, M; Steklac, M; Majova, V; Gall, M; Matuska, J; Pitonak, M; Bucinsky, L; Biophys. Chem. 288 106854 2022; DOI: 10.1016/j.bpc.2022.106854

5

DFT Modeling of Polyethylene Chains Cross-linked by Selected ns1 and ns2 Metal Atoms; Vrška, D; Urban, M; Neogrády, P; Pittner, J; Blaško, M; Pitoňák, M; J. Phys. Chem. A 128 (36) 7634-7647, 2024; DOI: 10.1021/acs.jpca.4c04755

VI.4 - The most significant citations corresponding to the research/artistic/other outputs
1

Chem. Rev. 110 (9) 5023-5063, 2010; DOI: 10.1021/cr1000173 => Accurate and Efficient Method for Many-Body van der Waals Interactions; Tkatchenko, A; DiStasio, RA; Car, R; Scheffler, M, Phys. Rev. Lett. 108 (23) 236402, 2012; DOI: 10.1103/PhysRevLett.108.236402 (citations: 1421)

2

Chem. Rev. 110 (9) 5023-5063, 2010; DOI: 10.1021/cr1000173 => Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory; Klimes, J; Michaelides, A, J. Chem. Phys 137 (12) 120901, 2012; DOI 10.1063/1.4754130 (citations: 704)

3

J. Chem. Theory Comput. 6 (1) 344-352; DOI: 10.1021/ct900541n => Optimization of parameters for semiempirical methods VI: more modifications to the NDDO approximations and re-optimization of parameters; Stewart, JJP, J. Mol. Mod. 19 (1) 1-32, 2013; DOI: 10.1007/s00894-012-1667-x (citations: 849)

4

J. Chem. Theory Comput. 6 (1) 344-352; DOI: 10.1021/ct900541n => Dispersion-Corrected Mean-Field Electronic Structure Methods; Grimme, S; Hansen, A; Brandenburg, JG; Bannwarth, C, Chem. Rev. 116 (9) 5105-5154, 2016; DOI: 10.1021/acs.chemrev.5b00533 (citations: 604)

5

ChemPhysChem 10 (1) 282-289, 2009 ; DOI: 10.1002/cphc.200800718 => Efficient and Accurate Double-Hybrid-Meta-GGA Density Functionals-Evaluation with the Extended GMTKN30 Database for General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions; Goerigk, L; Grimme, S, J. Chem. Theory Comput. 7 (2) 291-309, 2011; DOI: 10.1021/ct100466k (citations: 678)

VI.5 - Participation in conducting (leading) the most important research projects or art projects over the last six years
1

Principal Investigator: APVV-15-0105 "Noncovalent interactions in systems with increasing complexity"

2

Investigator: VEGA 1/0712/18 "Sensitizers based on benzothiazol and thiazol-condensed heterocycles for photovoltaic applications: from computer modelling to synthesis and practical usage in stain-sensibilized solar cells"

3

Investigator: APVV APVV-20-0127 "Towards reliable finite temperature ab initio calculations of molecules and materials"

4

Investigator: APVV-20-0098 "Molecular switching under the spotlight"

5

Investigator: VEGA 1/0254/24 "The role of configurational variability in the theoretical description of interactions of molecules and condensed systems"

VII. - Overview of organizational experience related to higher education and research/artistic/other activities

VIII. - Overview of international mobilities and visits oriented on education and research/artistic/other activities in the given field of study

IX. - Other relevant facts