most citedUpscaling from ab initio atomistic simulations to electrode scale: The case of manganese hexacyanoferrate, a cathode material for Na-ion batteries

1 citations · 1 across the 2 of their papers we have counts for

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2 papers

cond-mat.soft2026

A molecular perspective on coordination, screening, and emergent length scales in lithium electrolytes

Amaury Coste, Eva Zunzunegui-Bru, Ambroise van Roekeghem +2

Lithium electrolytes are commonly described using separate conceptual frameworks for local coordination chemistry, electrostatic screening, and ionic transport. This separation is…

cond-mat.mtrl-sci2026★ 1 cited

Upscaling from ab initio atomistic simulations to electrode scale: The case of manganese hexacyanoferrate, a cathode material for Na-ion batteries

Yuan-Chi Yang, Eric Woillez, Quentin Jacquet +1

We present a generalizable scale-bridging computational framework that enables predictive modeling of insertion-type electrode materials from atomistic to device scales. Applied to…