Machine Learning Force Fields in Electrochemistry: From Fundamentals to Applications
Ryosuke Jinnouchi, Saori Minami
Abstract
crystal structures, leading to the identification of promising Li-ion and Na-ion solid electrolytes. MLFFs are expected to continue evolving as a core technology in computational materials science, spanning a wide range from high-precision calculations to large-scale materials exploration.
Topics & Concepts
NanotechnologyMaterials scienceChemical physicsComputer scienceChemistryMachine Learning in Materials ScienceFuel Cells and Related MaterialsComputational Drug Discovery Methods