52 citations · 211 across the 14 of their papers we have counts for
Showing 2022Show all
2 papers · 1 filter
cond-mat.mtrl-sci2022★ 20 cited
Constant Chemical Potential-Quantum Mechanical-Molecular Dynamics simulations of the Graphene-electrolyte double layer
Nicodemo Di Pasquale, Aaron R. Finney, Joshua Elliott +2
We present the coupling of two frameworks -- the pseudo-open boundary simulation method known as constant potential Molecular Dynamics simulations (CMD), combined with QMMD calc…
cond-mat.mtrl-sci2022
A Variational Approach to Assess Reaction Coordinates for Two-Step Crystallisation
Aaron R. Finney, Matteo Salvalaglio
Molecule- and particle-based simulations provide the tools to test, in microscopic detail, the validity of classical nucleation theory. In this endeavour, determining nucleation me…