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physics.chem-ph2023
De novo Design of Polymer Electrolytes with High Conductivity using GPT-based and Diffusion-based Generative Models
Zhenze Yang, Weike Ye, Xiangyun Lei +3
Solid polymer electrolytes hold significant promise as materials for next-generation batteries due to their superior safety performance, enhanced specific energy, and extended life…
physics.chem-ph2023
A Self-Improvable Polymer Discovery Framework Based on Conditional Generative Model
Arash Khajeh, Xiangyun Lei, Weike Ye +3
In this work, we introduce a polymer discovery platform to efficiently design polymers with tailored properties, exemplified by the discovery of high-performance polymer electrolyt…