Department for Computer Simulations of Many-Particle Systems

The department was established in 2007 on the basis of the Department of Theory of Metals and Alloys, which for 14 years (1990-2004) was headed by Professor Z. Gursky. From 2007 to June 2021, the department was headed by Corresponding Member of the NAS of Ukraine, Prof. T. Bryk (now - Director of the ICMP of the NAS of Ukraine). Since July 2021, the head of the department is Dr.Sci., Prof. J. Ilnytskyi. Currently, the department has 18 employees, including: Academician of the NAS of Ukraine I. Mryglod, Corresponding Member of the NAS of Ukraine T. M. Brik, a total of 9 Dr.Sci. (A. Baumketner, T. Bryk, T. Verkholyak, Kh. Haidukivska, A. Duviryak, J. Ilnytskyi, I. Mryglod, O. Patsahan, Yu. Yaremko), 6 candidates of sciences/PhD (Y. Humenyuk, T. Demchuk, V. Ignatyuk, O. Kalyuzhnyi, D. Yaremchuk, M. Kopcha), researcher O. Fareniuk and three graduate students (I.-M. Ilenkov, I. Yidak and R. Sokyrko). Photo: September 1, 2023 on the 98th anniversary of the founder of the ICMP of the NAS of Ukraine I. R. Yukhnovsky (in the center of the photo). Igor Yukhnovskyi was one of the first to anticipate the huge potential of computer simulations and aided formation and strengthening of the department since its establishment.

Head of Department –  Dr.Sci. Jaroslav Ilnytskyi

Phone: (032) 2760908; E-mail: ilnicmp.lviv.ua

Research topics of the Department:

• Simulations of complex systems by molecular dynamics, dissipative particle dynamics and Monte Carlo methods;
• Simulations of liquid metals, alloys, molten salts and molecular systems by ab initio molecular dynamics;
• Computer simulations of liquid crystals;
• Computer simulations of macromolecules and biological systems;
• Theory of collective processes in disordered systems;
• Physical chemistry of interfaces;
• Analytical and simulation studies in relativistic physics;
• Quantum kinetics and the theory of open quantum systems.

Specific systems under study in the Department: liquid metals and alloys, molten salts, water, liquid crystals, macromolecules, proteins, glass systems, surfaces of solids, solid/liquid interfaces, ionic liquids, colloids, open quantum systems.

Scientific cooperation

G.Ruocco, T.Scopigno (Universita di Roma “La Sapienza”, Italy)
A.D.J.Haymet (University of California, San Diego, USA)
M.Santoro, F.Gorelli (Universita di Firenze, Italy)
J.-F.Wax (P.Verlaine Universite, Metz, France)
A.Belonoshko (Royal Institute of Technology, Stockholm, Sweden)
M.Inui (Hiroshima University, Japan)
S.Hosokawa (Hiroshima Institute of Technology, Japan)
D.Neher (Potsdam University, Germany)
M.Wilson (Durham University, Great Britain)
A.Ciach (Institute of Physical Chemistry, Polish Academy of Sciences, Poland)
A.Maciejewski (University of Zelena Gura, Poland)

Teaching

The department's employees (T.Bryk, J.Ilnytskyi, D.Yaremchuk) collaborate with Lviv Polytechnic National University: T.Bryk teaches courses on "Quantum Chemistry" and "Computer Modeling of Physical Processes", T.Bryk and J.Ilnytskyi supervise diploma (master's) theses, V.Ignatyuk lectures on quantum computers at the Ivan Franko Lviv National University. V.Ignatyuk lectures on the theoretical mechanics for bachelors and teaches the special course "Decoherence of quantum states" for masters on the Physics Department of the Ivan Franko National University of Lviv.

Publications

During last five years the researchers of Department have published more than 80 papers in international journals and 12 preprints, contributed with 106 talks at national and international conferences, defended 4 Habilitations and 4 PhD Thesis.

Complete list of publications during 2020-2025