Research/art/teacher profile of a person
Name and surname:
Mgr. Monika Gešvandtnerová, 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
Gešvandtnerová
I.2 - Name
Monika
I.3 - Degrees
Mgr., PhD.
I.4 - Year of birth
1995
I.5 - Name of the workplace
Department of physical and theoretical chemistry
I.6 - Address of the workplace
Faculty of Natural Sciences, Comenius University in Bratislava, Mlynská dolina, Ilkovičova 6 842 15 Bratislava 4
I.7 - Position
Researcher - technician
I.8 - E-mail address
monika.gesvandtnerova@uniba.sk
I.9 - Hyperlink to the entry of a person in the Register of university staff
https://www.portalvs.sk/regzam/detail/51860
I.10 - Name of the study field in which a person works at the university
Theoretical and computational chemistry
I.11 - ORCID iD
0000-0001-5561-1755

II. - Higher education and further qualification growth

II.1 - First degree of higher education
II.a - Name of the university or institution
Comenius University in Bratislava
II.b - Year
2015-2018
II.c - Study field and programme
Chemistry
II.2 - Second degree of higher education
II.a - Name of the university or institution
Comenius University in Bratislava
II.b - Year
2018-2020
II.c - Study field and programme
Theoretical and computational chemistry
II.3 - Third degree of higher education
II.a - Name of the university or institution
Comenius University in Bratislava
II.b - Year
2020-2024
II.c - Study field and programme
Theoretical and computational 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
Laboratory technician Comenius University in Bratislava 2023

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
Cvičenia z Fyzikálnej chémie 2 Chemistry 1. Chemistry
Chemické modelovanie Chemistry 1. Chemistry
Chemical Modelling Chemistry 1. Chemistry
Bakalárska práca z teoretickej a počítačovej chémie (1) Chemistry 1. Chemistry
Cvičenie k bakalárskej práci z teoretickej a počítačovej chémie Chemistry 1. Chemistry
Bakalárska práca z teoretickej a počítačovej chémie (2) Chemistry 1. Chemistry
Počítačové modelovanie (1), molekuly, interakcie a reaktivita Theoretical and computational chemistry 2. 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.4.2 - Number of defended theses
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
4
VI.1.b - Over the last six years
4
VI.1.2 - Number of the research/artistic/other outputs registered in the Web of Science or Scopus databases
VI.1.a - Overall
4
VI.1.b - Over the last six years
4
VI.1.3 - Number of citations corresponding to the research/artistic/other outputs
VI.1.a - Overall
73
VI.1.b - Over the last six years
73
VI.1.4 - Number of citations registered in the Web of Science or Scopus databases
VI.1.a - Overall
56
VI.1.b - Over the last six years
56
VI.1.5 - Number of invited lectures at the international, national level
VI.1.a - Overall
2
VI.1.b - Over the last six years
2
VI.2 - The most significant research/artistic/other outputs
1

Bučko, T.; Gešvandtnerová, M.; Rocca, D. Ab Initio Calculations of Free Energy of Activation at Multiple Electronic Structure Levels Made Affordable: An Effective Combination of Perturbation Theory and Machine Learning. J. Chem. Theory Comput. 2020, 16 (10), 6049–6060. https://doi.org/10.1021/acs.jctc.0c00486.

2

Gešvandtnerová, M.; Rocca, D.; Bučko, T. Methanol Carbonylation over Acid Mordenite: Insights from Ab Initio Molecular Dynamics and Machine Learning Thermodynamic Perturbation Theory. Journal of Catalysis 2021, 396, 166–178. https://doi.org/10.1016/j.jcat.2021.02.011.

3

Gešvandtnerová, M.; Bučko, T.; Raybaud, P.; Chizallet, C. Monomolecular Mechanisms of Isobutanol Conversion to Butenes Catalyzed by Acidic Zeolites: Alcohol Isomerization as a Key to the Production of Linear Butenes. Journal of Catalysis 2022, 413, 786–802. https://doi.org/10.1016/j.jcat.2022.07.025.

4

Gešvandtnerová, M.; Raybaud, P.; Chizallet, C.; Bučko, T. Importance of Dynamic Effects in Isobutanol to Linear Butene Conversion Catalyzed by Acid Zeolites Assessed by AIMD. ACS Catal. 2024, 14 (10), 7478– 7491. https://doi.org/10.1021/acscatal.4c00736.

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

Bučko, T.; Gešvandtnerová, M.; Rocca, D. Ab Initio Calculations of Free Energy of Activation at Multiple Electronic Structure Levels Made Affordable: An Effective Combination of Perturbation Theory and Machine Learning. J. Chem. Theory Comput. 2020, 16 (10), 6049–6060. https://doi.org/10.1021/acs.jctc.0c00486.

2

Gešvandtnerová, M.; Rocca, D.; Bučko, T. Methanol Carbonylation over Acid Mordenite: Insights from Ab Initio Molecular Dynamics and Machine Learning Thermodynamic Perturbation Theory. Journal of Catalysis 2021, 396, 166–178. https://doi.org/10.1016/j.jcat.2021.02.011.

3

Gešvandtnerová, M.; Bučko, T.; Raybaud, P.; Chizallet, C. Monomolecular Mechanisms of Isobutanol Conversion to Butenes Catalyzed by Acidic Zeolites: Alcohol Isomerization as a Key to the Production of Linear Butenes. Journal of Catalysis 2022, 413, 786–802. https://doi.org/10.1016/j.jcat.2022.07.025.

4

Gešvandtnerová, M.; Raybaud, P.; Chizallet, C.; Bučko, T. Importance of Dynamic Effects in Isobutanol to Linear Butene Conversion Catalyzed by Acid Zeolites Assessed by AIMD. ACS Catal. 2024, 14 (10), 7478– 7491. https://doi.org/10.1021/acscatal.4c00736.

VI.4 - The most significant citations corresponding to the research/artistic/other outputs
VI.5 - Participation in conducting (leading) the most important research projects or art projects over the last six years

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)
IFP Energies Nouvelles Rond-point de l'échangeur de Solaize, 69360 Solaize 1.10.-17.12.2022 Scientific stay
Université de Lorraine 7 Rue Alexandre de Geiger, 57200 Sarreguemines 1.10.-12.12. 2024 Postdoc
Université de Lorraine 7 Rue Alexandre de Geiger, 57200 Sarreguemines 3.3.-6.4. 2025 Postdoc

IX. - Other relevant facts