Structure / Interdisciplinary Center for Computer Simulations / Expert Council
Expert Council
The ICCS Expert Council consists of experts in computer simulations and high-performance computing:
-
Taras Bryk, D.Sc., professor – first-principles and classical molecular dynamics of simple liquids and metallic melts; ice–water interfaces; and ion hydration processes.
-
Taras Patsahan, D.Sc. – atomistic and coarse-grained molecular dynamics of simple and molecular systems, polymers, and biomolecules; Monte Carlo simulations of anisotropic particle systems; and machine learning and deep learning methods for studying the structure of protein molecules and their complexes.
-
Jaroslav Ilnytskyi, D.Sc., professor – molecular dynamics, Monte Carlo simulations, and mesoscopic approaches to modelling polymer and colloidal systems, liquid-crystalline polymers, polymer brushes, and nanostructured materials.
-
Yaroslav Shchur, D.Sc. – quantum-chemical calculations and first-principles molecular dynamics of crystals.
-
Anrdiy Baumketner, D.Sc., – molecular dynamics of peptide and protein folding and aggregation; application of hybrid solvation models for biomolecules; simulation of nanocrystals and organic ligands on their surfaces.
-
Maksym Druchok, PhD – molecular dynamics of ionic solutions; molecular docking; machine learning and deep learning for the analysis of biomolecular data and the modelling of structural and functional properties of proteins.