Dr. Dzmitry Firaha

Dr. Dzmitry Firaha




Reconstruction of the Microcanonical Rate Constant from Experimental Thermal Data


AICES Graduate School
RWTH Aachen University
Schinkelstr. 2a
D-52062 Aachen

Office: Room 208
Email: firaha@aices.rwth-aachen.de
Phone: +49(0)241 80 99 755
Fax: +49(0)241 80 628 498


since 10/2016 AICES Graduate School, RWTH Aachen University, Germany
Postdoctoral Fellow
02/2013 -- 09/2016 Mulliken Center for Theoretical Chemistry
University of Bonn, Germany
PhD, Theoretical Chemistry
09/2012 -- 01/2013 University of Leipzig, Leipzig, Germany
Postgraduate studies
09/2011 -- 06/2012 Belarusian State University, Minsk, Belarus

Master Degree, Chemistry
09/2006 -- 06/2011 Belarusian State University, Minsk, Belarus
Diploma with Honours, Chemistry

Awards and Honors

• Research telegram talk on 11th German Conference on Chemoinformatics,
Fulda, Germany, 2015.
• Grant for participation in the 65th Lindau Nobel Laureate Meeting,
Lindau, Germany, 2015.
• Scholarship from the German Academic Exchange Service (DAAD), 
University of Bonn, Bonn, Germany, 2013 – 2016.
• Best talk award, 19th Lomonosov Chemistry Student Conference,
Moscow, Russia, 2012.
• The top graduate student of the Chemistry Department,
Belarusian State University, Minsk, Belarus, 2011.
• Second Prize, Second Open Chemistry BASF Olympiad,
Minsk, Belarus, 2011.
• Best talk award, 18th Lomonosov Chemistry Student Conference,
Moscow, Russia, 2011.
• First Prize, Undergraduate Research Competition,
Belarus Ministry of Education, 2010.
• Best talk award, 17th Lomonosov Chemistry Student Conference,
Moscow, Russia, 2010.
• Second Prize, Undergraduate Research Competition,
Belarus Ministry of Education, 2010.
• Francis Skorina Scholarship,
Belarusian State University, 2008 – 2009.
• Third Prize, Chemistry Olympiad ”ChemPort.ru”,
Moscow, Russia, 2008.
• Silver medal, 38th International Chemistry Olympiad,
Gyeongsan, Korea, 2006.
• Silver medal, 40th International Mendeleev Olympiad,
Yerevan, Armenia, 2006.


D. S. Firaha, A.V. Gibalova, O. Hollóczki, "Basic Phosphonium Ionic Liquids as Wittig Reagents", ACS Omega, 2017, 2, 2901-2911.

A. Korotkevich, D. S. Firaha, A. A. H. Padua, B. Kirchner, "Ab initio molecular dynamics simulations of SO 2 solvation in choline chloride/glycerol deep eutectic solvent", Fluid Phase Equilibria, 2017,448, 59–68.

D. S. Firaha, M. Thomas O. Hollóczki, M. Korth and B. Kirchner, ”Can dispersion corrections annihilate the dispersion-driven nano-aggregation of non-polar groups? An ab initio molecular dynamics study of ionic liquid systems”, J. Chem. Phys., 2016, 145, 204502.

D. S. Firaha and B. Kirchner, ”Tuning the Carbone Dioxide Absorption in Amino Acid Ionic Liquids”, ChemSusChem, 2016, 9, 1591–1599.

D. S. Firaha, O. Hollóczki, and B. Kirchner, ”Computer-Aided Design of Ionic Liquids as CO2 Absorbents”, Angew. Chem. Int. Ed., 2015, 54, 7805–7809.

D. S. Firaha, O. Hollóczki, and B. Kirchner, ”Computer-gestütztes Design ionischer Flüssigkeiten zur CO2 -Absorption”, Angew. Chem., 2015, 127, 7916-7920.

D. S. Firaha, M. Kavalchuk, and B. Kirchner, ”SO2 Solvation in the 1-Ethyl-3-Methylimidazolium Thiocyanate Ionic Liquid by Incorporation into the Extended Cation - Anion Network”, J. Solution Chem., 2015, 44, 838–849.

M. A. Fomich, D. S. Firaha ”Microplate as a Convenient Tool for Identification of Inorganic Compounds by Drop Reactions”, Chem. Educator, 2016, 21, 3–4.

B. Kirchner, F. Malberg, D. S. Firaha, O. Hollóczki ”Ion pairing in ionic liquids”, J. Phys.: Condens. Matter, 2015, 27, 463002.D. Zaitsau, E. Paulechka, D. S. Firaha, A. V. Blokhin, G. J. Kabo, A. Bazyleva,

D. Zaitsau, E. Paulechka, D. S. Firaha, A. V. Blokhin, G. J. Kabo, A. Bazyleva, A. G. Kabo, M. A. Varfolomeev, V. M. Sevruk ”Comprehensive study of the thermodynamic properties for 2-methyl-3-buten-2-ol”, J. Chem. Thermodyn., 2015, 91,

Z. Kelemen, B. Péter-Szabó, E. Székely, O. Hollóczki, D. Firaha, B. Kirchner, J. Nagy, L. Nyulászi, ”An Abnormal N-Heterocyclic Carbene-Carbon Dioxide Adduct from Imidazolium Acetate Ionic Liquids: The Importance of Basicity”, Chem. Eur. J., 2014, 20, 13002–13008.

D. S. Firaha and B. Kirchner, ”CO2 Absorption in the Protic Ionic Liquid Ethylammonium Nitrate”, J. Chem. Eng. Data, 2014, 59, 3098–3104.

D. S. Firaha, Y. U. Paulechka ”Kinetics of synthesis of 1-alkyl-3-methylimidazolium ionic liquids in dilute and concentrated solutions”, Int. J. Chem. Kin., 2013, 45, 771–779.

O. Hollóczki, D. S. Firaha, J. Friedrich, M. Brehm, R. Cybik, M. Wild, A. Stark, and B. Kirchner, ”Carbene Formation in Ionic Liquids: Spontaneous, Induced, or Prohibited?”,J. Phys. Chem. B, 2013, 117, 5898–5907.

A. P. Gaiduk, D. S. Firaha, V. N. Staroverov ”Improved Electronic excitation energies from shape-corrected semilocal Kohn-Sham potentials”, Phys. Rev. Lett., 2012, 108, 253005.

Y. U. Paulechka, G. J. Kabo, A. V. Blokhin, D. S. Firaha ”Thermodynamics of ionic liquids precursors: 1-bromobutane and its isomers”, J. Chem. Eng. Data, 2011, 56, 4891–4899.