prof. RNDr. Ivan Černušák, DrSc.

Reality is for people who can't face science fiction

(for more pictures visit "Relax, hobby, etc" here.)

Katedra fyzikálnej a teoretickej chémie/Department of Physical & Theoretical Chemistry

Prírodovedecká fakulta, Univerzita Komenského v Bratislave, Ilkovičova 6, 842 15 Bratislava
Fac. Nat. Sci., Comenius University in Bratislava
tel. +421-2-9014-9429; email: ivan.cernusakuniba.sk, miestnosť/room: CH1-340

Životopis (CV)

Prof. RNDr. Ivan Černušák, DrSc. - Curriculum Vitae (EN)

Born, teen-ageing, maturing, ageing in Central Europe (for more, download CV above). Warning: I am NOT on FB, IG, TT, LkdIn. And just by accident on TT.

Oblasti výskumu (Research topics)

theoretical chemistry, atmospheric chemistry, chemical reactivity, spectroscopy, carbon allotropes (cyclo[n]carbon rings)

Aktuálne riešené projekty (Current Projects)

  • Referenčné výpočty vlastností, interakcií a reaktivity chemických systémov / Benchmark calculations of properties, interactions and reactivity of chemical systems. VEGA-1/0777/19 (ukončené v decembri 2022/finished Dec. 2022)
  • Od presných ab initio výpočtov k predpovediam teplotne závislých vlastností molekúl a materiálov APVV-20-0127
  • Atmospheric chemistry of pesticides (French/slovak cooperation)
  • Catenanes built of cyclo[n]carbons (in silico modelling)

Vybrané publikácie (Selected papers)

Full list of publications can be found here.

S. Kozáková, N. Alharzali, I. Černušák, Cyclo[n]carbons and catenanes from different perspectives: disentangling the molecular thread, Phys. Chem. Chem. Phys. 25, 29386 (2023)

P.J. Castro, V. Kellö, I. Černušák; T.S. Dibble: Together, Not Separately, OH and O3 Oxidize Hg(0)to Hg(II) in the Atmosphere J. Phys. Chem. A, DOI 10.1021/acs.jpca.2c04364 (2022)

V. Shah, D.J. Jacob, C.P. Thackray, X. Wang, E.M. Sunderland, T.S. Dibble,
A. Saiz-Lopez, I. Černušák; , V. Kellö, P.J. Castro, R. Wu, and C. Wang, Improved Mechanistic Model of the Atmospheric Redox Chemistry of Mercury, Environ. Sci. Technol. 2021, 55, 14445−14456.

Said, H.; Novotny, M.; Cernusak, I.; Bucko, T., Ab initio molecular dynamics investigation of Cs adsorption on Mo(001): Beyond a single monolayer coverage, Appl. Surf. Sci. (2021) 559, 149822.

Barysz, M.; Cernusak, I.Kello, V.Neogrady, P., AuSi molecule revisited:IOTC/CASSCF/CASPT2 calculations, Int. J. Quantum Chem., (2021) 121, e26502.

L. Ehn, I. Cernusak , Atomic and ionic polarizabilities of B, C, N, O, and F, Int. J. Quantum Chem. (2021) 121,  e26467.

D. Khiri, F. Louis, I. Cernusak, T.S. Dibble, BrHgO• + CO: Analogue of OH + CO and Reduction Path for Hg(II) in the Atmosphere, ACS Earth Space Chem. (2020) 4, 1777−1784

S. Kozáková, I. Černušák: Spectroscopic properties of diatomic molecules CdI and CsCd: ab initio calculations. Theoret. Chem. Acc. 139, 134 (2020)

V. Hurai, I. Černušák, K. Randive: Raman spectroscopic study of polysulfanes (H2Sn) in natural fluid inclusions. Chem. Geology 508, 15-29 (2019)

T. Bučko, M. Novotný, I. Černušák: On the work function of the surface Mo(001) and its temperature dependence: an ab initio molecular dynamics study. J. Phys.-Cond. Matter 30, 505001 (2018)

S. Khanniche, F. Louis, L. Cantrel, I. Černušák: A Density Functional Theory and ab Initio Investigation of the Oxidation Reaction of CO by IO Radicals. J. Phys. Chem. A 120, 1737-1749 (2016)

A. S. Ivanov, X. Zhang, H. Wang, A.I: Boldyrev, G. Gantenfoer, K.H. Bowen, I. Černušák: Anion Photoelectron Spectroscopy and CASSCF/CASPT2/RASSI Study of Lan– (n = 1, 3–7). J. Phys. Chem. A 119, 11293-11303 (2015)

Pedagogická činnosť (Teaching)

  • Teória chemickej väzby/Theory of chemical bond (P,S),
  • Chemické modelovanie/Chemical modelling (C),
  • Počítačové modelovanie/Computational chemistry modelling (P,C),
  • Perspektívy chémie/Chemistry perspectives (P),
  • Diplomový seminár/Master thesis seminar (S)

Other (hobby)

I am still active in "Pata-scientific seminars" about things in academic live that drive us crazy, keep us smiling or leave us astonished.