activity
19992020
most citedOptimized Verlet-like algorithms for molecular dynamics simulations

130 citations · 822 across the 28 of their papers we have counts for

collaborators

28 papers

math.DS2020

Algorithm for numerical solutions to the kinetic equation of a spatial population dynamics model with coalescence and repulsive jumps

Igor Omelyan, Yuri Kozitsky, Krzysztof Pilorz

An algorithm is proposed for finding numerical solutions of a kinetic equation that describes an infinite system of point articles placed in . The particle…

math.DS2020

Jumps and Coalescence in the Continuum: a Numerical Study

Kozitsky Yuri, Omelyan Igor, Pilorz Krzysztof

The dynamics is studied of an infinite continuum system of jumping and coalescing point particles. In the course of jumps, the particles repel each other whereas their coalescence…

physics.chem-ph2019★ 9 cited

Enhanced solvation force extrapolation for speeding up molecular dynamics simulations of complex biochemical liquids

Igor Omelyan, Andriy Kovalenko

We propose an enhanced approach to the extrapolation of mean potential forces acting on atoms of solute macromolecules due to their interactions with solvent atoms in complex bioch…

physics.comp-ph2019★ 7 cited

Spatial population dynamics: beyond the Kirkwood superposition approximation by advancing to the Fisher-Kopeliovich ansatz

Igor Omelyan

The superior Fisher-Kopeliovich closure is applied to the hierarchy of master equations for spatial moments of population dynamics for the first time. As a consequence, the populat…

q-bio.PE2018★ 20 cited

Spatially inhomogeneous population dynamics: beyond the mean field approximation

Igor Omelyan, Yuri Kozitsky

We propose a novel method for numerical modeling of spatially inhomogeneous moment dynamics of populations with nonlocal dispersal and competition in continuous space. It is based…

cond-mat.stat-mech2013★ 14 cited

Consistent description of kinetics and hydrodynamics of weakly nonequilibrium processes in simple liquids

B. Markiv, I. Omelyan, M. Tokarchuk

The generalized transport equations for a consistent description of kinetic and hydrodynamic processes in dense gases and liquids are considered. The inner structure of the general…