Conference
Soungmin Bae, Ibuki Miyamoto, Shin Kiyohara, and Yu Kumagai
“Universal Small Polaron Formation in Chemical Doping of MoS2 from First Principles"
ENGE2024@Jeju Island in South Korea, 11/24-27, oral
Rafael Costa-Amaral, Soungmin Bae, and Yu Kumagai
“First-principles Investigation of Point Defects in Two-dimensional β-TeO2“
ENGE2024@Jeju Island in South Korea, 11/24-27, oral
Chisa Shibui, Shin Kiyohara，Vu Thi Ngoc Huyen and Yu Kumagai
“Prediction of Oxygen Vacancy Formation Energy Using Crystal Graph Convolutional Neural Networks"
ENGE2024@Jeju Island in South Korea, 11/24-27, poster
Yu Kumagai
“Accurate Calculations for Point Defects in Non-Metallic Materials and Their Applications"
ENGE2024@Jeju Island in South Korea, 11/24-27, Invited talk
Ibuki Miyamoto, Shin Kiyohara, Soungmin Bae, and Yu Kumagai
“First-Principles Study on Hydrogen Behaviors in Si Grain Boundaries"
ENGE2024@Jeju Island in South Korea, 11/24-27, poster
Vu Thi Ngoc Huyen, Soungmin Bae, Rafael Costa-Amaral, and Yu Kumagai
“The p-Type Doping of Bulk TeO2: A First-Principles Point Defects Study"
ENGE2024@Jeju Island in South Korea, 11/24-27, oral
Soungmin Bae, Ibuki Miyamoto, Shin Kiyohara, and Yu Kumagai
“Universal polaron formations in chemically-doped MoS2 revealed from first principles"
CRCGP-MSSP2024@Tohoku University, 11/18-21, poster
Atsushi Takigawa, Shin Kiyohara，and Yu Kumagai
“Prediction of Dielectric Tensors using an Equivariant Graph Neural Network"
CRCGP-MSSP2024@Tohoku University, 11/18-21, poster
Ibuki Miyamoto, Shin Kiyohara, Soungmin Bae, and Yu Kumagai
“First-Principles Study on Hydrogen Behaviors in Si Grain Boundaries"
CRCGP-MSSP2024@Tohoku University, 11/18-21, poster
Chisa Shibui, Shin Kiyohara，and Yu Kumagai
“Prediction of Oxygen Vacancy Formation Energies with Crystal Graph Neural Networks"
CRCGP-MSSP2024@Tohoku University, 11/18-21, poster
Soungmin Bae
“Small polaron formations in chemical doping of MoS2 revealed from first principles"
Gordon Research Conference@University of Ulsan in South Korea, The 25th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-25), 8/28-30, Poster
Shin Kiyohara,
“マテリアルズインフォマティクスを用いた格子欠陥の構造・物性予測および解析手法の開発"
The Japan Institute of Metals and Materials 2024 fall meeting@Osaka University Toyonaka campus, 9/18-20, Oral (Award presentation)
Ibuki Miyamoto, Shin Kiyohara, Soungmin Bae, Yu Kumagai
“Si 粒界中の不純物水素の挙動に関する第一原理計算"
The Japan Institute of Metals and Materials 2024 fall meeting@Osaka University Toyonaka campus, 9/18-20, Oral
Chisa Shibui, Shin Kiyohara，Yu Kumagai
“機械学習を用いた帯電した酸素空孔形成エネルギー予測"
The Japan Institute of Metals and Materials 2024 fall meeting@Osaka University Toyonaka campus, 9/18-20, Oral
Yu Kumagai
“欠陥形成エネルギーの高精度計算と機械学習による予測"
The Ceramic Society of Japan The 37th Fall Meeting@Nagoya University Higashiyama campus, 9/10-12, Invited talk
Soungmin Bae
“Small polaron formations in chemical doping of MoS2 revealed from first principles"
Gordon Research Conference@Boston in USA,, Defects from Fundamental Properties to Designed Functionalities, 8/4-9, Poster
Yu Kumagai
“Insights on Point Defect Energetics in Non-Metallic Solids under Periodic Boundary Conditions"
Gordon Research Conference@Boston in USA, Defects from Fundamental Properties to Designed Functionalities, 8/4-9, Invited talk
Yu Kumagai
“High-throughput calculations on oxygen vacancies and their applications"
10th International Congress on Ceramics@Montreal in Canada, 7/14-18, Invited talk
Yu Kumagai
“High-accuracy calculation of point defects inside non-metallic materials and its applications"
ECAPD2024@Trondheim in Kingdom of Norway, 6/17-19, Invited talk
Atsushi Takigawa, Shin Kiyohara，Yu Kumagai
“パーシステントホモロジー解析を用いた結晶構造解析"
第146回東北大学金属材料研究所講演会@金属材料研究所, 5/28, Poster
Hinata Ota，Chisa Shibui，Shin Kiyohara，Yu Kumagai
“汎用的機械学習ポテンシャルを用いた酸素空孔形成エネルギーの予測"
第146回東北大学金属材料研究所講演会@金属材料研究所, 5/28, Poster
Ruon Katsuragi，Chisa Shibui，Shin Kiyohara，Yu Kumagai
“Deep Kernel Learningを用いたベイズ最適化による材料探索手法の構築"
第146回東北大学金属材料研究所講演会@金属材料研究所, 5/28, Poster
Ibuki Miyamoto, Shin Kiyohara,
Soungmin Bae, Yu Kumagai
“Si粒界中の不純物水素の挙動に関する第一原理計算"
第146回東北大学金属材料研究所講演会@金属材料研究所, 5/28, Poster
Shin Kiyohara, Tomohito Tsuru, and Yu Kumagai
“First-principles calculations on dislocation mobility in MgO"
The Ceramic Society of Japan Annual Meeting 2024@Kumamoto University Kurokami campus, 3/14-17, Oral
Ibuki Miyamoto, Soungmin Bae, Shin Kiyohara, and Yu Kumagai
“First Principles Study on Impurities in Monolayer Molybdenum Disulfide"
The Ceramic Society of Japan Annual Meeting 2024@Kumamoto University Kurokami campus, 3/14-17, Oral
Chisa Shibui, Shin Kiyohara, and Yu Kumagai
“Prediction of oxygen vacancy formation energies using crystal graph convolutional neural networks"
The Ceramic Society of Japan Annual Meeting 2024@Kumamoto University Kurokami campus, 3/14-17, Oral
Ibuki Miyamoto, Soungmin Bae, Shin Kiyohara, and Yu Kumagai
“二次元MoS2の不純物に関する第一原理計算"
第145回東北大学金属材料研究所講演会@金属材料研究所, 12/6, Poster
Chisa Shibui, Shin Kiyohara, and Yu Kumagai
“結晶グラフニューラルネットワークを用いた酸素空孔形成エネルギーの予測"
第145回東北大学金属材料研究所講演会@金属材料研究所, 12/6, Poster
Shin Kiyohara, David Mora-Fonz, Alexander Shluger, Yu Kumagai, and Fumiyasu Oba
“Analysis of Atomic and Electronic Structures of Neutral Oxygen Vacancies in Amorphous SnO2 by First-Principles Calculation and Machine Learning"
IUMRS-ICYRAM 2022, 8/3-6, Oral