Accelerated Materials Design of Lithium Superionic Conductors Based on First-Principles Calculations and Machine Learning Algorithms

ADVANCED ENERGY MATERIALS

Volume 3, Issue 8, Pages 980-985

WILEY-V C H VERLAG GMBH

cluster expansion; first-principles molecular dynamics; LISICON; solid electrolyte; support-vector regression

Chemistry, Physical Energy & Fuels Materials Science, Multidisciplinary Physics, Applied Physics, Condensed Matter

1. MEXT, Japan
2. Grants-in-Aid for Scientific Research [23686090, 23246111, 24656370] Funding Source: KAKEN