Application of pretrained universal machine-learning interatomic potential for physicochemical simulation of liquid electrolytes in Li-ion batteries
Suyeon Ju, Jinmu You, Gijin Kim, Yutack Park, H. L. An, Seungwu Han
Abstract
SevenNet-0, pretrained on inorganic data, performs surprisingly well on liquid electrolytes—an out-of-distribution system—showing interpolation ability and improving further with fine-tuning.
Topics & Concepts
ElectrolyteBattery (electricity)IonMaterials scienceComputer scienceChemistryPhysicsThermodynamicsPhysical chemistryElectrodeOrganic chemistryPower (physics)Advanced Battery Technologies ResearchMachine Learning in Materials Science