Research/art/teacher profile of a person
Name and surname:
Mgr. Dávid Vrška, 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
Vrška
I.2 - Name
Dávid
I.3 - Degrees
Mgr., PhD.
I.4 - Year of birth
1997
I.5 - Name of the workplace
Department of physical and theoretical chemistry, Faculty of Natural Sciences, Comenius University Bratislava
I.6 - Address of the workplace
Mlynská dolina, Ilkovičova 6, 842 15 Bratislava 4
I.7 - Position
Assistant professor
I.8 - E-mail address
david.vrska@uniba.sk
I.9 - Hyperlink to the entry of a person in the Register of university staff
https://www.portalvs.sk/regzam/detail/45793
I.10 - Name of the study field in which a person works at the university
Theoretical and computational chemistry
I.11 - ORCID iD
https://orcid.org/0000-0003-1632-6251

II. - Higher education and further qualification growth

II.1 - First degree of higher education
II.a - Name of the university or institution
Comenius University Bratislava
II.b - Year
2018
II.c - Study field and programme
Theoretical and computational chemistry, Chemistry
II.2 - Second degree of higher education
II.a - Name of the university or institution
Comenius University Bratislava
II.b - Year
2020
II.c - Study field and programme
Theoretical and computational chemistry, Chemistry
II.3 - Third degree of higher education
II.a - Name of the university or institution
Comenius University Bratislava
II.b - Year
2024
II.c - Study field and programme
Theoretical and computational chemistry, Chemistry
II.4 - Associate professor
II.5 - Professor
II.6 - Doctor of Science (DrSc.)

III. - Current and previous employment

III.a - Occupation-position III.b - Institution III.c - Duration
Assistant professor Faculty of Natural Sciences, Comenius University in Bratislava 2024-2029

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
Mathematics 1 Biological Chemistry I. Chemistry
Mathematics 2 Biological Chemistry I. 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.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)
0
V.4.b - Diploma (second degree)
0
V.4.c - Dissertation (third degree)
0
V.4.2 - Number of defended theses
V.4.a - Bachelor's (first degree)
0
V.4.b - Diploma (second degree)
0
V.4.c - Dissertation (third degree)
0
V.5 - Overview of other courses taught in the current academic year according to study programmes

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
5
VI.1.b - Over the last six years
5
VI.1.2 - Number of the research/artistic/other outputs registered in the Web of Science or Scopus databases
VI.1.a - Overall
5
VI.1.b - Over the last six years
5
VI.1.3 - Number of citations corresponding to the research/artistic/other outputs
VI.1.a - Overall
7
VI.1.b - Over the last six years
7
VI.1.4 - Number of citations registered in the Web of Science or Scopus databases
VI.1.a - Overall
7
VI.1.b - Over the last six years
7
VI.1.5 - Number of invited lectures at the international, national level
VI.1.a - Overall
0
VI.1.b - Over the last six years
0
VI.2 - The most significant research/artistic/other outputs
1

DFT Modeling of Polyethylene Chains Cross-linked by Selected ns1 and ns2 Metal Atoms

DOI: 10.1021/acs.jpca.4c04755

2

Thermodynamics of the gas-phase dimerization of formic acid: Fully anharmonic finite temperature calculations at the CCSD(T) and many DFT levels

DOI: 10.1063/5.0205448

3

Excited states of aurocarbons: CASPT2 and CCSD(T) calculations of C2Au2 and C2Au4

DOI: 10.1002/qua.27122

4

O-Li...O and C-Li...C lithium bonds in small closed shell and open shell systems as analogues of hydrogen bonds

DOI: 10.1515/pac-2025-0532

5

Solvation strategies for free-energy calcultations in a halogen-bonded complex: implicit, explicit, and machine learning approaches

DOI: 10.1039/d5sc06336a

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

DFT Modeling of Polyethylene Chains Cross-linked by Selected ns1 and ns2 Metal Atoms

DOI: 10.1021/acs.jpca.4c04755

2

Thermodynamics of the gas-phase dimerization of formic acid: Fully anharmonic finite temperature calculations at the CCSD(T) and many DFT levels

DOI: 10.1063/5.0205448

3

Excited states of aurocarbons: CASPT2 and CCSD(T) calculations of C2Au2 and C2Au4

DOI: 10.1002/qua.27122

4

O-Li...O and C-Li...C lithium bonds in small closed shell and open shell systems as analogues of hydrogen bonds

DOI: 10.1515/pac-2025-0532

5

Solvation strategies for free-energy calcultations in a halogen-bonded complex: implicit, explicit, and machine learning approaches

DOI: 10.1039/d5sc06336a

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

A quantitative relationship between electron localization function and the strength of physical binding

DOI: 10.1088/1361-648X/adcc70

2

How does multi-reference computation change the catalysis chemistry? DFT and CASPT2 studies of the Cu-catalysed coupling reactions between aryl iodides and β-diketones

DOI: 10.1039/d3cp03418f

3

Slater-Condon Rules and Spin-Orbit Couplings: 2-(2-(2,5-Dimethoxybenzylidene)hydrazineyl)-4-(trifluoromethyl)thiazole a Test Case

DOI: 10.1021/acsomega.5c10359

4

Enhanced thermal stability in nitrogen-containing gold carbide cages: A DFT study of Au30N20C60 vs. Au30C20C60

DOI: 10.1016/j.comptc.2025.115513

5

Adsorption of benzene on graphene studied by ML-accelerated ab initio molecular dynamics simulations

DOI: 10.1063/5.0280806

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

Towards reliable finite temperature ab initio calculations of molecules and materials

2

The role of configurational variability in describing interactions between 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

VIII.a - Name of the institution VIII.b - Address of the institution VIII.c - Duration (indicate the duration of stay) VIII.d - Mobility scheme, employment contract, other (describe)
Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences Flemingovo náměstí, 542/2 160 00 Praha 6, Czech Republic 1. 1. 2025 31. 12. 2025 postdoc

IX. - Other relevant facts