41 citations · 87 across the 5 of their papers we have counts for
5 papers
Phase behaviour of coarse-grained fluids
Vlad P Sokhan, Michael A Seaton, Ilian T Todorov
Soft condensed matter structures often challenge us with complex many-body phenomena governed by collective modes spanning wide spatial and temporal domains. In order to successful…
Dissipative particle dynamics: Dissipative forces from atomistic simulation
Vlad P Sokhan, Ilian T Todorov
We present a novel approach of mapping dissipative particle dynamics (DPD) into classical molecular dynamics. By introducing the invariant volume element representing the swarm of…
Electronic coarse graining enhances the predictive power of molecular simulation allowing challenges in water physics to be addressed
Flaviu S. Cipcigan, Vlad P. Sokhan, Jason Crain +1
One key factor that limits the predictive power of molecular dynamics simulations is the accuracy and transferability of the input force field. Force fields are challenged by heter…
Molecular-scale remnants of the liquid-gas transition in supercritical polar fluids
V. P. Sokhan, A. Jones, F. S. Cipcigan +2
An electronically coarse-grained model for water reveals a persistent vestige of the liquid-gas transition deep into the supercritical region. A crossover in the density dependence…
Equilibrium Simulation of the Slip Coefficient in Nanoscale Pores
Vlad P. Sokhan, Nicholas Quirke
Accurate prediction of interfacial slip in nanoscale channels is required by many microfluidic applications. Existing hydrodynamic solutions based on Maxwellian boundary conditions…