activity
20232026
most citedUnsupervised learning of representative local atomic arrangements in molecular dynamics data

13 citations · 17 across the 4 of their papers we have counts for

collaborators
Showing 2026Show all

1 paper · 1 filter

cond-mat.soft2026

Practical Considerations for Finite Concentrations Molecular Dynamics Simulations

Xiaoxu Ruan, Fabrice Roncoroni, David Prendergast +1

Understanding concentrated electrolytes requires a theory that spans local hydration and mesoscale interfacial assembly. We present an integrated workflow-SCOPE-that combines (i) e…