most citedSolvation Structures and Ion Dynamics of CaCl Aqueous Electrolytes Using Metadynamics and Machine Learning Molecular Dynamics Simulations

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

collaborators

3 papers

cond-mat.mtrl-sci2023

Simulation Guided Molecular Design of Hydrofluoroether Solvent for High Energy Batteries

Zhou Yu, Zhangxing shi, Sambasiva R. Bheemireddy +9

Electrolyte design is critical for enabling next-generation batteries with higher energy densities. Hydrofluoroether (HFE) solvents have drawn a lot of attention as the electrolyte…

physics.chem-ph2023★ 1 cited

Solvation Structures and Ion Dynamics of CaCl Aqueous Electrolytes Using Metadynamics and Machine Learning Molecular Dynamics Simulations

Zhou Yu, Lei Cheng

The solvation structures and ion dynamics of CaCl aqueous electrolytes have been investigated using ab initio molecular dynamics simulations and molecular dynamics simulations…

cond-mat.soft2020

Viscous flow properties and hydrodynamic diameter of phenothiazine-based redox-active molecules in different supporting salt environments

Yilin Wang, Aman Preet Kaur, N. Harsha Attanayake +5

We report viscous flow properties of a redox-active organic molecule, N-(2-(2-methoxyethoxy)ethyl)phenothiazine (MEEPT), a candidate for non-aqueous redox flow batteries, and two o…