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Structure / Departments / Department for Soft Matter Theory

Department for Soft Matter Theory

By Ivan Kravtsiv - Posted on 23 June 2016



Head of Department  


Phone: (032) 2760614; E-mail: tarpa[REPLACE_THIS_WITH_AT_SIGN]

Department Staff

Prof. Myroslav HOLOVKO


Principal Investigator

corresponding member of the National Academy of Sciences of Ukraine


Phone: (032) 2760614; E-mail: holovko[REPLACE_THIS_WITH_AT_SIGN]

Prof. Mykhailo TOKARCHUK


Principal Investigator


Phone: (032) 2707401; E-mail: mtok[REPLACE_THIS_WITH_AT_SIGN]



Lead Researcher

Phone: (032) 2760614; E-mail: yukal[REPLACE_THIS_WITH_AT_SIGN]



Lead Researcher

Phone: (032) 2760614; E-mail: adt[REPLACE_THIS_WITH_AT_SIGN]

Senior Researcher
Dr. Maksym DRUCHOK
Senior Researcher
Phone: (032) 2760614; E-mail: maksym[REPLACE_THIS_WITH_AT_SIGN]
Dr. Roman MELNYK
Senior Researcher
Phone: (032) 2760614; E-mail: romanr[REPLACE_THIS_WITH_AT_SIGN]
Dr. Taras HVOZD

Junior Researcher
Dr. Marta HVOZD
Junior Researcher
Junior Researcher
Junior Researcher


PhD Student



PhD Student



Lab Assistant




Primary research areas

  • development of analytical and numerical methods in statistical physics;
  • modeling of the solvation and association effects in electrolyte solutions and polyelectrolytes;
  • properties of complex and associating liquids;
  • colloidal interactions and the polydispersity phenomenon in colloidal systems;
  • adsorption of liquids in porous media and interfacial phenomena;
  • corrosion and radiation-induced distruction of materials;
  • intramolecular and intermolecular electron transfer in liquids.
  • consistent description of kinetics and hydrodynamics of dense gasses, liquids, and plasma;
  • computer simulation of complex biochemical fluids;
  • reaction-diffusion processes in spatialy inhomogeneous electrolyte systems;
  • non-equilibrium processes within the generalized Renyi and Tsallis statistics.


Research objects: electrolyte solutions; molten salts; simple, polar, and magnetic liquids; dusty plasma; water and aqueous solutions; polyelectrolyte solutions; globular proteins; self-associating systems; macromolecular liquids, micelar solutions; microemulsions; polymer solutions; colloids; colloid-polymer systems; anisotropic fluids; biochemical fluids; liquid crystalline systems; inhomogeneous systems, films and membranes; fluids in porous media.


Scientific cooperation

The Department maintains cooperation with numerous research institutions in Ukraine and worldwide, including: Ecole Nationale Superieure de Chimie de Paris (France, J.P. Badialli, D. di Caprio); Institute for Theoretical Physics, University of Linz (Austria, prof. R.Folk group); University of Regensburg (Germany, G. Krinke); Universidad Nacional Autonoma de Mexico (Mexico, O. Pizio); Institute of Physical Chemistry, Polish Academy of Sciences (Warsaw, J. Stafiej); University of Ljubljana (Slovenia, V. Vlachy); Ecole Normale Superieure de Lion (France, W. Dong); Institute for Molecular Science (Okazaki, Japan, F. Hirata); Maria Curie-Sklodowska University (Lublin, Poland, S. Sokolowski); E. Hala Laboratory of Thermodynamics, Institute of Chemical Process Fundamentals of the Czech Academy of Sciences (Prague, Czech Republic, I. Nezbeda); Department of Chemistry and Biochemistry, Brigham Young University (Provo, Utah, USA, Doug Henderson); Illinois Institute of Technology (Chicago, USA, group of Darsh Wasan); University of Tennessee (USA, P.T. Cummings); Rutgers University at Newark (USA, P. Piotrowiak); National University "Lvivska Politekhnika"; Department of Physics,  University of Warwick, Coventry (Great Britain, Dr David Quigley).



The members of the Department M. Holovko, Yu. Kalyuzhnyi, A. Trokhymchuk, and M. Tokarchuk give lectures at the Faculty of Physics of the Ivan Franko National University of Lviv and at the Department of Applied Physics and Nanomaterial Science of Lviv Polytechnic National University.




Selected articles:

  1. A. Trokhymchuk, D. Henderson, A. Nikolov, D.T. Wasan. Computer simulation of macroion layering in a wedge film // Langmuir 21 (2005) 10240.
  2. I.P. Omelyan, I.M. Mryglod, M.V. Tokarchuk. Wavevector- and frequency-dependent shear viscosity of water: the modified collective mode approach and molecular dynamics calculations // Condens. Matter Phys., 8 (2005) 25.
  3. E.V. Vakarin, J.P. Badiali. Maximum entropy approach to power-law distributions in coupled dynamic-stochastic systems // Phys. Rev. E 74 (2006) 036120.
  4. Yu.V. Kalyuzhnyi, I.A. Protsykevytch, P.T. Cummings. Thermodynamic properties and liquid-gas phase diagram of the dipolar hard-sphere fluid // Europhys. Lett. 80 (2007) 56002.
  5. M. Druchok, B. Hribar-Lee, H. Krienke, V. Vlachy. A molecular dynamics study of short-chain polyelectrolytes in explicit water: Towards the origin of ion-specific effects // Chem. Phys. Lett. 451 (2008) 281.
  6. I.P. Omelyan, R. Folk, A. Kovalenko, W. Fenz, and I.M. Mryglod. Liquid-vapor interfaces in XY-spin fluids: An inhomogeneous anisotropic integral equation approach // Phys. Rev. E 79 (2009) 011123.
  7. Markiv B., Tokarchuk R., Kostrobij P., Tokarchuk M. Nonequilibrium statistical operator method in the Renyi statistics. // Physica A, 2011, vol. 390, p.785-791.
  8. Markiv B., Vasylenko A., and Tokarchuk M. Statistical description of hydrodynamic processes in ionic melts while taking into account polarization effects.// J. Chem.  Phys, 2012, vol.136, p. 234502(1-10)
  9. Omelyan I.P., Kovalenko A. Interpretation of atomic motion in flexible molecules: Accelerating molecular dynamics simulations.// Phys. Rev. E, 2012, vol. 85, No 2, 026706 (1-16 ).
  10. I. Kravtsiv, M. Holovko, D. Di Caprio. Maier–Saupe nematogenic fluid interacting with an isotropic and an anisotropic Yukawa potentials: field theory description // Mol. Phys. 111 (2013) 844.
  11. Holovko M., Shmotolokha V., Patsahan T. Hard convex body fluids in random porous media: Scaled particle theory, J. Mol. Liq. 189, 30 (2014).
  12. Omelyan I. and Kovalenko A., MTS-MD of biomolecules steered with 3D-RISM-KH mean solvation forces accelerated with generalized solvation force extrapolation, J. Chem. Theory Comput., 2015, Vol. 11, No 4, pp 1875–1895.
  13. Hlushak S. Perturbation theory for multicomponent fluids based on structural properties of hard-sphere chain mixtures// J. Chem. Phys., 2015, vol. 143, p.124906
  14. T.V. Hvozd, Yu.V. Kalyuzhnyi. Second-order Barker-Henderson perturbation theory for the phase behavior of polydisperse Morse hard-sphere mixture // Condens. Matter Phys., 18 (1), 13605: 1-13 (2015).
  15. I. Kravtsiv, T. Patsahan, M. Holovko and D. Di Caprio. Two-Yukawa fluid at a hard wall: Field theory treatment // J. Chem. Phys. 142, 194708 (2015).
  16. Markiv B., Tokarchuk M. Effect of ion polarization on longitudinal excitations in ionic melts. J. Chem. Phys., 2015, Vol. 143, No. 19, 194509:1-8.
  17. Vasylenko A., Tokarchuk M., Jurga S. Effect of a vacancy in single-walled carbon nanotubes on He and NO adsorption, J.Phys.Chem. C, 2015, vol.119, p.5113-5116
  18. Kastelic M., Kalyuzhnyi Y.V., Hribar-Lee B., Dil K.A., Vlachy V. Protein aggregation in salt solutions // Proceedings of the National Academy of Sciences of the United States of America. 6766, 112 (2015)
  19. Trokhymchuk A., Henderson D. Depletion forces in bulk and in confined domains: From Asakura-Oosawa to recent statistical physics advances // Current Opinion in Colloid and Interface Science, 20, 32 (2015).
  20. Di Caprio D., Kravtsiv I., Patsahan T., Holovko M. Oscillating Yukawa fluid at a hard wall: field theory description // Mol. Phys., 114, 2500 (2016).
  21. Trokhymchuk, A., Melnyk, R., Holovko, M., Nezbeda, I. Role of the reference system in study of fluid criticality by effective LGW Hamiltonian approach // J. Mol. Liq., 2017, 228, pp. 194–200
  22. Hvozd, M., Patsahan, T., Holovko, M. Isotropic-Nematic Transition and Demixing Behavior in Binary Mixtures of Hard Spheres and Hard Spherocylinders Confined in a Disordered Porous Medium: Scaled Particle Theory // Journal of Physical Chemistry B, 2018, 122(21), pp. 5534–5546
  23. Hlushak, P., Tokarchuk, M., Markiv, B. Longitudinal optic excitations in ionic melts within an ion-polarization model: A theoretical study // Journal of Molecular Liquids, 2018, 260, pp. 9–17
  24. Bokun, G., Kravtsiv, I., Holovko, M., Vikhrenko, V., di Caprio, D. Short- and long-range contributions to equilibrium and transport properties of solid electrolytes // Condensed Matter Physics, 2019, 22(3)
  25. Holovko, M.F., Shmotolokha, V.I. On generalization of Van der Waals approach for isotropic-nematic fluid phase equilibria of anisotropic fluids in disordered porous medium // Condensed Matter Physics, 2020, 23(1), 13601
  26. Omelyan, I., Kozitsky, Y., Pilorz, K. Algorithm for numerical solutions to the kinetic equation of a spatial population dynamics model with coalescence and repulsive jumps // Numerical Algorithms, 2020
  27. Hvozd, T., Kalyuzhnyi, Y.V., Vlachy, V. Aggregation, liquid-liquid phase separation, and percolation behaviour of a model antibody fluid constrained by hard-sphere obstacles // Soft Matter, 2020, 16(36), pp. 8432–8443
  28. Druchok, M., Yarish, D., Gurbych, O., Maksymenko, M. Toward efficient generation, correction, and properties control of unique drug-like structures // Journal of Computational Chemistry, 2021, 42(11), pp. 746–760.