4 citations · 4 across the 2 of their papers we have counts for
2 papers
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…
physics.chem-ph2025★ 4 cited
Deriving effective electrode-ion interactions from free-energy profiles at electrochemical interfaces
Fabrice Roncoroni, Abrar Faiyad, Yichen Li +3
Understanding ion adsorption at electrified metal-electrolyte interfaces is essential for accurate modeling of electrochemical systems. Here, we systematically investigate the free…