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 chémia chémia, biochémia I. Chemistry
Anorganická chémia 1 chémia I. chémia
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)
1
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)
1
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
52
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
21
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
231
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
231
VI.1.b - Over the last six years
73
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 Zechel, F., Schwendt, P., Gyepes, R., Šimunek, J., Tatiersky, J. & Krivosudský, L. 2019, "Vanadium(v) complexes of mandelic acid", New Journal of Chemistry, vol. 43, no. 45, pp. 17696-17702.

4

ADC Šimuneková, M., Schwendt, P., Gyepes, R., Šimunek, J., Filo, J., Bujdoš, M. & Tatiersky, J. 2019, "Bimetallic copper–vanadium mandelato complexes with bpy and phen as ancillary ligands. 51V NMR spectra of vanadates in DMSO", Polyhedron, vol. 167, pp. 62-68.

5

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

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)

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