103 citations · 382 across the 16 of their papers we have counts for
18 papers
Fast dynamics and high effective dimensionality of liquid fluidity
Cillian Cockrell, Oliver Dicks, Ilian T. Todorov +2
Fluidity, the ability of liquids to flow, is the key property distinguishing liquids from solids. This fluidity is set by the mobile transit atoms moving from one quasi-equilibrium…
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…
Radiation damage effects on helium diffusion in zircon
Aaron Diver, Oliver Dicks, Alin Elena +3
We report the effects of radiation damage on helium diffusion in zircon using data from molecular dynamics simulations. We observe an increase in activation energy for helium diffu…
Research Software Sustainability and Citation
Stephan Druskat, Daniel S. Katz, Ilian T. Todorov
Software citation contributes to achieving software sustainability in two ways: It provides an impact metric to incentivize stakeholders to make software sustainable. It also provi…
Radiation damage effects in amorphous zirconolite
Aaron Diver, Oliver Dicks, Alin Elena +2
We report the results of a large-scale modelling study of radiation damage effects in the nuclear waste form zirconolite. We particularly focus on the effects of radiation damage i…
Reactive molecular dynamics at constant pressure via non-reactive force fields: extending the Empirical Valence Bond method to the isothermal-isobaric ensemble
Ivan Scivetti, Kakali Sen, Alin M. Elena +1
The Empirical Valence Bond (EVB) method offers a suitable framework to obtain reactive potentials through the coupling of non-reactive force fields. However, most of the implemente…