24 citations · 34 across the 3 of their papers we have counts for
3 papers
Learning Density Functionals to Bridge Particle and Continuum Scales
Edoardo Monti, Peter Yatsyshin, Konstantinos Gkagkas +1
Predicting interfacial thermodynamics across molecular and continuum scales remains a central challenge in computational science. Classical density functional theory (cDFT) provide…
Molecular Dynamics Investigation of the Influence of the Shape of Cation on the Structure and Lubrication Properties of Ionic Liquids
Miljan Dašić, Igor Stanković, Konstantinos Gkagkas
We present a theoretical study of the influence of the molecular geometry of the cation on the response of ionic liquid (IL) to confinement and mechanical strain. The so-called {\i…
Influence of Confinement on Flow and Lubrication Properties of a Salt Model Ionic Liquid Investigated with Molecular Dynamics
Miljan Dašić, Konstantinos Gkagkas, Igor Stanković
We present a molecular dynamics study of the effects of confinement on the lubrication and flow properties of ionic liquids. We use a coarse-grained salt model description of ionic…