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
Som liberál, ale necítim sa byť rakovinou, ktorá sa šíri a poškodzuje túto krajinu. Naopak, vyznávam motto: Ži a nechaj žiť.
Životopis (CV)
Prof. RNDr. Ivan Černušák, DrSc. - Curriculum Vitae (EN)
Born, teen-ageing (experienced the Russian invasion '68), maturing during normalization, ageing during the agony of socialism and retired in post-factual era in Central Europe (for more, download CV above). Warning: I am NOT on FB, IG, TT, LkdIn.
Oblasti výskumu (Research topics)
theoretical chemistry, atmospheric chemistry, chemical reactivity, spectroscopy, carbon allotropes (cyclo[n]carbon rings)
Current collaboration:
- Assoc. prof. Florent Louis, Univ. Lille, France (atmospheric chemistry)
- Prof. Duy Qaung Dao, Duy Tan Univ., Da Nang, Vietnam (pesticides)
- Prof. Theodore Dibble, SUNY, Syracuse, NY, United States (mercury chemistry)
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/Vietnam/Slovak cooperation)
- Catenanes built of cyclo[n]carbons (in silico modelling)
- Fate of mercury in the environment (with Ted Dibble, SUNY, US)
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.