研課題
J-GLOBAL ID:202104019270131783  研究課題コード:16814656

材料シミュレーションとインフォマティクスを用いたデータ駆動型リチウムイオン導電性セラミックスの探索

体系的課題番号:JPMJPR16N9
実施期間:2016 - 2019
実施機関 (1件):
研究代表者: ( , ナノ材料科学環境拠点, 研究員 )
DOI: https://doi.org/10.52926/JPMJPR16N9
研究概要:
Computational screening can aid in finding promising battery materials but computations of crucial transition-state-related properties are still very expensive when done in a “big data” scale and with the inclusion of non-stoichiometry. This proposal is aimed towards the accurate, systematic and efficient search of new Li ion conductive ceramics by carefully combining crystal structure database, materials modelling and informatics tools that addresses every critical aspects of a comprehensive computational material search/screening: one is by finding appropriate material descriptors/ representation and by keeping computational cost for transition state properties manageable through DFT-driven force-field methods
研究制度:
上位研究課題: 理論・実験・計算科学とデータ科学が連携・融合した先進的マテリアルズインフォマティクスのための基盤技術の構築
研究所管機関:
国立研究開発法人科学技術振興機構
報告書等:

前のページに戻る