A07 - Solid-Electrolyte Modeling I

Monday, 14 October 2019: 10:20-12:20
Room 221 (The Hilton Atlanta)
Chairs:
Patrick Bonnick and Xin Li
10:20
(Invited) Cooperative Ion Migration in Li-Ion Conducting Glasses
D. J. Siegel (University of Michigan, Ann Arbor)
11:00
Computation-Guided Exploration for New-Chemistry Solid Electrolyte with Fast Ion Conduction and Good Electrochemical Stability
Y. Mo (University of Maryland, College Park)
11:20
Effects of Cell Size and Structure on Li+Diffusion in Llzo: Insights into the Nature of Grain Boundary Diffusion
A. Grieder (San Francisco State University), T. W. Heo, S. A. Akhade, B. C. Wood (Lawrence Livermore National Laboratory), and N. Adelstein (San Francisco State University)
11:40
Bayesian Optimization Guided Coarse-Grained Molecular Dynamics for Designing Highly Conductive Solid Polymer Electrolytes
Y. Wang, T. Xie, A. France-Lanord (Massachusetts Institute of Technology), A. Berkley (Oxford University), J. A. Johnson, Y. Shao-Horn, and J. C. Grossman (Massachusetts Institute of Technology)
12:00
Computational Investigation of the Binding Energy and Electrochemical Stability of Poly(ethylene oxide) with Li-Ion Salts
S. Venkatram, L. Chen, and R. Ramprasad (Georgia Institute of Technology)
See more of: A07: Solid State Batteries
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