A Quantitative Electrostatic Potential Descriptor Enables Deep Learning-Accelerated Discovery of High-Performance Lithium-Ion Battery Electrolytes.
Rational electrolyte design for high-energy-density lithium-ion batteries (LIBs) urgently demands precise and quantitative molecular descriptors of solvation power to enable deep learning (DL)-accelerated screening, yet such descriptors remain lacking. Here, we introduce the electrostatic potential ratio |ESPmin|/ESPma...