Research/art/teacher profile of a person
Name and surname:
RNDr. Ján Šimunek, 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
Šimunek
I.2 - Name
Ján
I.3 - Degrees
RNDr., PhD.
I.4 - Year of birth
1984
I.5 - Name of the workplace
Katedra anorganickej chémie, Prírodovedecká fakulta, Univerzita Komenského
I.6 - Address of the workplace
Ilkovičova 6, Mlynská dolina, 842 15 Bratislava
I.7 - Position
odborný asistent
I.8 - E-mail address
jan.simunek(at)uniba.sk
I.9 - Hyperlink to the entry of a person in the Register of university staff
https://www.portalvs.sk/regzam/detail/5874
I.10 - Name of the study field in which a person works at the university
chémia

II. - Higher education and further qualification growth

II.1 - First degree of higher education
II.a - Name of the university or institution
Univerzita Komenského v Bratislave
II.b - Year
2005
II.c - Study field and programme
chémia
II.2 - Second degree of higher education
II.a - Name of the university or institution
Univerzita Komenského v Bratislave
II.b - Year
2007
II.c - Study field and programme
Teoretická a počítačová chémia
II.3 - Third degree of higher education
II.a - Name of the university or institution
Univerzita Komenského v Bratislave
II.b - Year
2012
II.c - Study field and programme
chemická fyzika
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
vedecký pracovník Univerzita Komenského v Bratislave 2011-2017
odborný asistent Univerzita Komenského v Bratislave 2017-present

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
Všeobecná a anorganická chémia pre biológov biológia, medicínska biológia I. Biology
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)
2
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
V.5.a - Name of the course V.5.b - Study programme V.5.c - Degree V.5.d - Field of study
Chemické výpočty 2 chémia I. Chemistry
Základné chemické výpočty a názvoslovie biológia I. Biology

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
56
VI.1.b - Over the last six years
7
VI.1.2 - Number of the research/artistic/other outputs registered in the Web of Science or Scopus databases
VI.1.a - Overall
25
VI.1.b - Over the last six years
6
VI.1.3 - Number of citations corresponding to the research/artistic/other outputs
VI.1.a - Overall
408
VI.1.b - Over the last six years
52
VI.1.4 - Number of citations registered in the Web of Science or Scopus databases
VI.1.a - Overall
408
VI.1.b - Over the last six years
52
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

ADC Šimunek, J., Noga, J. "Optimised Thouless expansion second-order Moller-Plesset theory " Molecular Physics. - Vol. 111, No. 9-11 (2013), s. 1119-1128

2

ADC J., Noga, J.Šimunek, "Solving the Independent-Particle Model via Nonunitary Transformation Based on Variational Coupled Cluster Singles" Journal of Chemical Theory and Computation. - Vol. 6, No. 9 (2010), s. 2706-2713

3

ADC Edit Mátyus, Ján Šimunek, Attila G. Császár "On the variational computation of a large number of vibrational energy levels and wave functions for medium-sized molecules" Journal of Chemical Physics. - Vol. 131, No. 7 (2009), s. 74106

4

Krivosudský, Lukáš, Schwendt, Peter, Šimunek, Ján, Gyepes, Róbert "Stereospecificity in vanadium Schiff base complexes: Formation, crystallization and epimerization processes" Journal of Inorganic Biochemistry. - Vol. 147, Sp. Iss. (2015), s. 65-70

5

ADC Orešková, G., Krivosudský, L., Šimunek, J., Noga, J. 2015, "Structural and spectral properties of tartrato complexes of vanadium(V) from quantum chemical calculations", Theoretical Chemistry Accounts., Vol. 134, No. 10 , s. Art. No. 116

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

ADC Kedžuch, S. , Šimunek, J., Veis, M., Noga, J. 2020, "Doubly Occupied Pair Coupled Cluster F12 Approach" , Journal of Chemical Theory and Computation. - Vol. 16, No. 12, pp. 7372-7380

2

ADC Gyepes, R., Schwendt, P., Tatiersky, J., Sivák, M., Šimunek, J., Pacigová, S. & Krivosudský, L. 2020, "Stereochemistry of Vanadium Peroxido Complexes: The Case of the Quinoline-2-carboxylato Ligand", Inorganic chemistry, vol. 59, no. 23, pp. 17162-17170.

3

ADC Fanta, R., Kolesár, V., Simunek, J., Dubecky, M. 2020,"Benchmarking lattice energy of a model 1D molecular HF crystal", Theoretical chemistry accounts, vol 139:89, pp 1-4

4

ADC J. Šimunek, J. Noga, 2025, "Is It Worth Running the Hartree‐Fock Calculations With Localized Molecular Orbitals Within the Framework of Variational Coupled Cluster Singles Theory?" Journal of Computational Chemistry, Vol. 46, pp. e70075

5

ADC Schwendt, P., Gyepes, R., Tatiersky, J., Simunek, J., Matulkova, I., 2026, "Vanadium(IV) complexes of Mandelic acid", Polyhedron, DOI: 10.1016/j.poly.2025.117815

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

ADC Noga, J., Kedžuch, S., Šimunek, J. 2007, "Second order explicitly correlated R12 theory revisited: A second quantization framework for treatment of the operators' partitionings", Journal of Chemical Physics. - Vol. 127, No. 3, Art. No. 034106, Ohlasy (59):

[o1] 2020 - Smith, C.D. - Karton, A. - In: Journal of Computational Chemistry, Vol. 41, No. 4, 2020 ; s. 328-339 ; SCI

2

ADC Šimunek, J., Noga, J. "Optimised Thouless expansion second-order Moller-Plesset theory " Molecular Physics. - Vol. 111, No. 9-11 (2013), s. 1119-1128 [o1] 2013 - Stuck, D. - Head-Gordon, M. - In: Journal of Chemical Physics, Vol. 139, No. 24, 2013 ; Art. No. 244109 ; SCI

3

ADC J., Noga, J.Šimunek, "Solving the Independent-Particle Model via Nonunitary Transformation Based on Variational Coupled Cluster Singles" Journal of Chemical Theory and Computation. - Vol. 6, No. 9 (2010), s. 2706-2713 [o1] 2011 - Kats, D. - Usvyat, D. - Schutz, M. - In: Physical Review A, Vol. 83, No. 6, 2011 ; Art. No. 062503 ; SCI

4

ADC Edit Mátyus, Ján Šimunek, Attila G. Császár "On the variational computation of a large number of vibrational energy levels and wave functions for medium-sized molecules" Journal of Chemical Physics. - Vol. 131, No. 7 (2009), s. 74106 [o1] 2012 - Christiansen, O. - In: Journal of Chemical Physics, Vol. 14, No. 19 ; s. 6672-6687 ; SCI

5

Krivosudský, Lukáš, Schwendt, Peter, Šimunek, Ján, Gyepes, Róbert "Stereospecificity in vanadium Schiff base complexes: Formation, crystallization and epimerization processes" Journal of Inorganic Biochemistry. - Vol. 147, Sp. Iss. (2015), s. 65-70 [o1] 2019 - Adam, M.S.S. - El-Hady, O.M. - Ullah, F. - In: RSC Advances, Vol. 9, No. 59, 2019 ; s. 34311-34329 ; SCI

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

Riešiteľ: VEGA 1/0336/13 Chirálne zlúčeniny prechodných prvkov so zameraním na vanád (2013-2016)

2

Riešiteľ: VEGA 1/0507/17 Zlúčeniny vanádu v katalýze a materiálovej chémii: interakcia experimentu a teórie. (2017-2020)

3

Riešiteľ: EU NextGenerationEU through the Recovery and Resilience Plan for Slovakia under Project No.

09I03-03-V04-00117.

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