62 citations · 120 across the 5 of their papers we have counts for
5 papers
Structural Characterization of an Ionic Liquid in bulk and in nano-confined environment from MD simulations
Natasa Vucemilovic-Alagic, Radha D. Banhatti, Robert Stepic +7
This article contains data on structural characterization of the [C2Mim][NTf2] in bulk and in nano-confined environment obtained using MD simulations. These data supplement those p…
Insights from Molecular Dynamics Simulations on Structural Organization and Diffusive Dynamics of an Ionic Liquid at Solid and Vacuum Interfaces
Natasa Vucemilovic-Alagic, Radha D. Banhatti, Robert Stepic +7
Hypothesis A prototypical modelling approach is required for a full characterisation of the static and equilibrium dynamical properties of confined ionic liquids (ILs), in order to…
The cationic energy landscape in alkali silicate glasses: properties and relevance
H. Lammert, R. D. Banhatti, A. Heuer
Individual cationic site--energies are explicitly determined from molecular dynamics simulations of alkali silicate glasses, and the properties and relevance of this local energeti…
Backward correlations and dynamic heterogeneities: a computer study of ion dynamics
Andreas Heuer, Magnus Kunow, Michael Vogel +1
We analyse the correlated back and forth dynamics and dynamic heterogeneities, i.e. the presence of fast and slow ions, for a lithium metasilicate system via computer simulations.…
Characterization of the complex ion dynamics in lithium silicate glasses via computer simulations
Andreas Heuer, Magnus Kunow, Michael Vogel +1
We present results of molecular dynamics simulations on lithium metasilicate over a broad range of temperatures for which the silicate network is frozen in but the lithium ions can…