Analysis on Structuring and Dynamics of Ionic Liquid Forming Electric Double Layer at Electrode Interfaces
ISSP Activity Report 2018…続きを読む
Ab initio inspection on doping effects on rare-earth permanent magnets
ISSP Activity Report 2018…続きを読む
First-principels study of anomalous thermoelectric effect on magnetic materials
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Development of open-source software HΦ
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Numerical analysis of non-equilibrium dynamics of polymeric liquid and solid
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First-principles study of ionization and diffusion of metal atoms at metal/solid interfaces in electric fields: toward semiconductor and organic substrates
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Electronic structure of light rare earth permanent magnets
Saturation magnetic polarization of the system plotted against the lattice constant and the fictitious atomic …続きを読む
「京」を利用したタイヤ用ゴム材料のJOCTA/VSOPによる大規模粗視化分子動力学シミュレーション
我々は、高性能なタイヤ用ゴム材料の研究開発に最新のシミュレーション技術を活用しています。一般にゴム材料開発の現場では、粘弾性、強度、耐候性などの様々な要求性能に応じて配合や工程を調整しています。しかし、その調整には多大な…続きを読む
Design of organic structure-directing agents for the synthesis of zeolites with controlled active sites
ISSP Activity Report 2017…続きを読む
Large-scale device-material research by massively parallel electronic structure calculation and data science
ISSP Activity Report 2018…続きを読む