78 citations · 156 across the 8 of their papers we have counts for
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cond-mat.soft2023
Salt effects on the mechanical properties of ionic conductive polymer: a molecular dynamics study
Harish Gudla, Kristina Edström, Chao Zhang
Functoinal polymers can be used as electrolyte and binder materials in solid-state batteries. This often requires performance targets in terms of both transport and mechanical prop…
cond-mat.mtrl-sci2023★ 22 cited
PiNNwall: Heterogeneous Electrode Models from Integrating Machine Learning and Atomistic Simulation
Thomas Dufils, Lisanne Knijff, Yunqi Shao +1
Electrochemical energy storage always involves the capacitive process. The prevailing electrode model used in the molecular simulation of polarizable electrode-electrolyte systems…
physics.chem-ph2023★ 30 cited
Bruce-Vincent transference numbers from molecular dynamics simulations
Yunqi Shao, Chao Zhang
Transference number is a key design parameter for electrolyte materials used in electrochemical energy storage systems. However, the determination of the true transference number f…