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論文 TSV
2026
- Ibuki Masuda, Yasunori Futamura, Jianbo Lin, Anh Khoa Augustin Lu, Ryo Tamura, Tsuyoshi Miyazaki, Tetsuya Sakurai. Modularity Regularized Locality Preserving Projection. Communications in Computer and Information Science. 2754 (2026) 528-539 10.1007/978-981-95-4091-4_36
- Koki Otsuka, Anh Khoa Augustin Lu, Koji Shimizu, Satoshi Watanabe. Distance-insensitive Graph Neural Networks and multi-task learning for accurate prediction of adsorption energies on alloy nanoclusters. Computational Materials Science. 274 (2026) 114987 10.1016/j.commatsci.2026.114987 Open Access
- Anh Khoa Augustin Lu, Naoki Maekawa, Akane Ikeda, Koji Shimizu, Hiroshi Masuda, Hidehiro Yoshida, Satoshi Watanabe. Study of the ion mobility in defect-laden ZrO 2 under an electric field using neural network with predictions for Born effective charges. Physical Review Materials. 10 [6] (2026) 066001 10.1103/jcsd-dbl2 Open Access
- F Ferracina, A K A Lu, X N Du, N Chen, M I Ojovan, H Suito, D V Louzguine-Luzgin. Viscosity rise of supercritical liquid copper above the Frenkel line and related structural features: a molecular dynamics and topological data analysis study. Journal of Physics: Condensed Matter. 38 [20] (2026) 205702 10.1088/1361-648x/ae6216
2025
- Kentaro Miyamoto, Koji Shimizu, Anh Khoa Augustin Lu, Satoshi Watanabe. Construction of Machine Learning Potentials toward the Exploration of Alloy Cluster Catalysts. e-Journal of Surface Science and Nanotechnology. 23 [2] (2025) 2025-028 10.1380/ejssnt.2025-028 Open Access
- Michael I. Ojovan, Anh Khoa Augustin Lu, Dmitri V. Louzguine-Luzgin. Massive Fluctuations in the Derivatives of Pair Distribution Function Minima and Maxima During the Glass Transition. Metals. 15 [8] (2025) 869 10.3390/met15080869 Open Access
- D.V. Louzguine-Luzgin, M. Okugawa, A.K.A. Lu, Yu.P. Ivanov, A.L. Greer. Ultrahigh strength in Ti-Fe-Sn-Nb alloys through short-range chemical and topological ordering. Journal of Alloys and Compounds. 1027 (2025) 180542 10.1016/j.jallcom.2025.180542
- Shungo Arai, Koji Shimizu, Anh Khoa Augustin Lu, Hiroshi Masuda, Hidehiro Yoshida, Satoshi Watanabe. Charge States of Ions around Σ5(310)/[001] Grain Boundary in Cubic-ZrO2 Revealed by First-principles Calculations. e-Journal of Surface Science and Nanotechnology. 23 [4] (2025) 2025-044 10.1380/ejssnt.2025-044 Open Access
- Akihiro Fujii, Anh Khoa Augustin Lu, Koji Shimizu, Satoshi Watanabe. A straightforward gradient-based approach for designing superconductors with high critical temperature: exploiting domain knowledge via adaptive constraints. Digital Discovery. 4 [12] (2025) 3662-3673 10.1039/d5dd00250h Open Access
- Kaito Kanahashi, Itsuki Tanaka, Tomonori Nishimura, Kohei Aso, Anh Khoa Augustin Lu, Satoru Morito, Limi Chen, Takafumi Kakeya, Satoshi Watanabe, Yoshifumi Oshima, Yukiko Yamada-Takamura, Keiji Ueno, Amin Azizi, Kosuke Nagashio. Dimensionality-Induced Transition from Degenerate to Nondegenerate States in Nb-Doped WSe2. ACS Nano. 19 [10] (2025) 10244-10254 10.1021/acsnano.4c17660
- Hiroshi Idzuchi, Andres E. Llacsahuanga Allcca, Anh Khoa Augustin Lu, Mitsuhiro Saito, Subhadip Das, John F. Ribeiro, Michel Houssa, Ruishen Meng, Kazutoshi Inoue, Xing-Chen Pan, Katsumi Tanigaki, Yuichi Ikuhara, Takeshi Nakanishi, Yong P. Chen. Enhanced ferromagnetism in an artificially stretched lattice in quasi-two-dimensional Cr2Ge2Te6. Physical Review B. 111 [2] (2025) L020402 10.1103/physrevb.111.l020402
2024
- E.N. Zanaeva, A.K.A. Lu, D.V. Louzguine-Luzgin. On atomic segregation in metallic glasses induced by shear deformation: A computer simulation study. Computational Materials Science. 238 (2024) 112923 10.1016/j.commatsci.2024.112923
- Anh Khoa Augustin Lu, Jianbo Lin, Yasunori Futamura, Tetsuya Sakurai, Ryo Tamura, Tsuyoshi Miyazaki. Extraction of local structure differences in silica based on unsupervised learning. Physical Chemistry Chemical Physics. 26 [15] (2024) 11657-11666 10.1039/d3cp06298h Open Access
- Kengo Nishio, Anh Khoa Augustin Lu. Unveiling a medium-range structural commonality of amorphous alloys. Journal of Non-Crystalline Solids. 624 (2024) 122696 10.1016/j.jnoncrysol.2023.122696 Open Access
2022
- Mitsuhiro Okada, Jiang Pu, Yung-Chang Lin, Takahiko Endo, Naoya Okada, Wen-Hsin Chang, Anh Khoa Augustin Lu, Takeshi Nakanishi, Tetsuo Shimizu, Toshitaka Kubo, Yasumitsu Miyata, Kazu Suenaga, Taishi Takenobu, Takatoshi Yamada, Toshifumi Irisawa. Large-Scale 1T′-Phase Tungsten Disulfide Atomic Layers Grown by Gas-Source Chemical Vapor Deposition. ACS Nano. 16 [8] (2022) 13069-13081 10.1021/acsnano.2c05699
- A. K. A. Lu, D. V. Louzguine-Luzgin. Crystal nucleation and growth processes in Cu-rich glass-forming Cu–Zr alloys. The Journal of Chemical Physics. 157 [1] (2022) 10.1063/5.0097023
2021
- Mitsuhiro Okada, Naoka Nagamura, Tarojiro Matsumura, Yasunobu Ando, Anh Khoa Augustin Lu, Naoya Okada, Wen-Hsin Chang, Takeshi Nakanishi, Tetsuo Shimizu, Toshitaka Kubo, Toshifumi Irisawa, Takatoshi Yamada. Growth of MoS2–Nb-doped MoS2 lateral homojunctions: A monolayer p–n diode by substitutional doping. APL Materials. 9 [12] (2021) 121115 10.1063/5.0070333 Open Access
書籍 TSV
会議録 TSV
口頭発表 TSV
2026
- 畠山裕生, LU, Anh Khoa Augustin, 渡邉聡. Theoretical study of WS2 thin film on an amorphous SiO2 substrate. 2026年日本表面真空学会学術講演会(JVSS 2026). 2026
- 荒井俊吾, Loche Philip, LU, Anh Khoa Augustin, Langer Marcel, Ceriotti Michele, 渡邉聡. Toward electric-field molecular dynamics near ZrO2 grain boundaries with an electric-field-aware machine learning interatomic potential. 2026年日本表面真空学会学術講演会(JVSS 2026). 2026
- LU, Anh Khoa Augustin, 渡邉聡. Development and applications of charge-aware machine-learning models to investigate ionic behaviors under electric fields. 2026年日本表面真空学会学術講演会(JVSS 2026). 2026 招待講演
- HIRAI Daisuke, FUJII Keitaro, FUJII Akihiro, LU Anh Khoa Augustin, WATANABE Satoshi. 勾配ベースの組成の逆設計に基づく誘電体の探索. 第87回応用物理学会秋季学術講演会. 2026
- HORI Yuya, LU Anh Khoa Augustin, FUJII Akihiro, WATANABE Satoshi. 自己教師あり材料表現学習におけるPoincaré埋め込みの有効性の検証. 第87回応用物理学会秋季学術講演会. 2026
- OTSUKA Koki, SHIMIZU Koji, LU, Anh Khoa Augustin, WATANABE Satoshi. Development of a Composition Optimization Method for Finding High-Entropy Alloy Nanoparticle Catalysts via Machine Learning. The 13th Vacuum and Surface Sciences Conference of Asia and Australia & 71st KVS Summer Annual Conference. 2026
- 畠山 裕生, LU, Anh Khoa Augustin, 渡邉 聡. First-principles study of monolayer WS2 on an amorphous SiO2 substrate. 日本表面真空学会 2026年度関東支部講演大会 –AI 4 Surface Science–. 2026
- LU, Anh Khoa Augustin, 荒井 俊吾, Yutack PARK, Seungwu HAN, MIYAZAKI, Tsuyoshi, 渡邉 聡. Towards Fast and Accurate Charge-Aware Neural Network Force Fields with the Multitask SevenNet-Polar Architecture. 日本表面真空学会 2026年度関東支部講演大会 –AI 4 Surface Science–. 2026
- 荒井 俊吾, Philip Loche, LU, Anh Khoa Augustin, Marcel F. Langer, Michelle Ceriotti, 渡邉 聡. An electric-field-aware machine learning interatomic potential for ion dynamics near ZrO2 grain boundaries. 日本表面真空学会 2026年度関東支部講演大会 –AI 4 Surface Science–. 2026
- LU, Anh Khoa Augustin, KANAHASHI Kaito, NAGASHIO Kosuke, WATANABE Satoshi. Ab initio study of the impact of Se vacancies on Nb-doping of WSe2. JPS 2026 Spring Meeting (日本物理学会 2026年春季大会). 2026
- LU, Anh Khoa Augustin, KANAHASHI Kaito, NAGASHIO Kosuke, WATANABE Satoshi. Ab initio study of the role of Se vacancies in p-type doping of Nb-substituted WSe2. 現代表面科学の到達点とフロンティアを越えて. 2026
2025
- LU, Anh Khoa Augustin, LIN, Jianbo, TAMURA, Ryo, WATANABE Satoshi, MIYAZAKI, Tsuyoshi. Study of silica under pressure with locally averaged atomic fingerprints and unsupervised learning. Material Research Meeting 2025 (MRM 2025). 2025
- YATMEIDHY, Amran, JAMIN Timothee, LU, Anh Khoa Augustin, MIYAZAKI, Tsuyoshi. Unsupervised identification of defect structures in gallium nitride. Material Research Meeting 2025 (MRM 2025). 2025
- Ibuki Masuda, Yasunori Futamura, LIN, Jianbo, LU, Anh Khoa Augustin, TAMURA, Ryo, MIYAZAKI, Tsuyoshi, Tetsuya Sakurai. Modularity Regularized Locality Preserving Projection. 32nd International Conference on Neural Information Processing (ICONIP 2025). 2025
- LU, Anh Khoa Augustin, LIN, Jianbo, TAMURA, Ryo, WATANABE Satoshi, MIYAZAKI, Tsuyoshi. Effect of Pressure on Silica Studied with Locally Averaged Atomic Fingerprints and Unsupervised Learning. The 26th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-26). 2025
- YATMEIDHY, Amran, JAMIN Timothee, LU, Anh Khoa Augustin, MIYAZAKI, Tsuyoshi. Unsupervised analysis of defects in gallium nitride. The 26th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-26). 2025
- LU, Anh Khoa Augustin, MAEKAWA Naoki, IKEDA Akane, SHIMIZU Koji, MASUDA Hiroshi, YOSHIDA Hidehiro, WATANABE Satoshi. Study of electric field-induced ion diffusion in defect-laden tetragonal ZrO2 with charge-aware machine learning potentials. Annual Meeting of the Japan Society of Vacuum and Surface Science 2025 (JVSS 2025). 2025
- LU, Anh Khoa Augustin, KANAHASHI Kaito, NAGASHIO Kosuke, WATANABE Satoshi. First principles study of the impact of Se vacancies on Nb-doped WSe2. The 23rd International Vacuum Congress (IVC-23). 2025
- YATMEIDHY, Amran, JAMIN Timothee, LU, Anh Khoa Augustin, MIYAZAKI, Tsuyoshi. Characterization of defect structures in gallium nitride via unsupervised learning. The Physical Society of Japan 2025 Annual (80th) Meeting. 2025
- LU, Anh Khoa Augustin, LIN, Jianbo, TAMURA, Ryo, WATANABE Satoshi, MIYAZAKI, Tsuyoshi. Study of pressure effects in SiO2 glass using unsupervised learning. PSI-K 2025 Conference. 2025
- LU, Anh Khoa Augustin, LIN, Jianbo, TAMURA, Ryo, WATANABE Satoshi, MIYAZAKI, Tsuyoshi. Silica under pressure: structure analysis with locally averaged atomic fingerprints and unsupervised learning. 日本表面真空学会 第8回若手部会研究会 & 関東支部10周年記念シンポジウム (JVSS young researchers / Kanto branch event). 2025
- LU, Anh Khoa Augustin, LIN, Jianbo, TAMURA, Ryo, WATANABE Satoshi, MIYAZAKI, Tsuyoshi. Extracting structural features of the medium-range order in silica using locally averaged descriptors and unsupervised learning. Symposium on Hyper-Ordered Structure Sciences (HOSS Symposium). 2025
2024
- LU, Anh Khoa Augustin, LIN, Jianbo, TAMURA, Ryo, WATANABE Satoshi, MIYAZAKI, Tsuyoshi. Study of silica under pressure with first-principles molecular simulations. The 25th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-25). 2024
- LU, Anh Khoa Augustin, LIN, Jianbo, TAMURA, Ryo, FUTAMURA Yasunori, SAKURAI Tetsuya, MIYAZAKI, Tsuyoshi. Detection of subtle structural differences in Silica with locally averaged atomic fingerprints and unsupervised learning. The 10th International Symposium on Surface Science (ISSS-10). 2024
- YATMEIDHY, Amran, JAMIN Timothee, LU, Anh Khoa Augustin, MIYAZAKI, Tsuyoshi. Local structure analysis of disorders in GaN using machine-learning and DFT methods. Joint Workshop LANL/NIMS Quantum and Functional Materials and MANA International Symposium 2024. 2024
- LU, Anh Khoa Augustin, LIN, Jianbo, TAMURA, Ryo, 二村 保徳, 櫻井鉄也, MIYAZAKI, Tsuyoshi. Study of the structure of silica using locally averaged atomic fingerprints and two-step locality-preserving projections. The Physical Society of Japan 2024 Spring Meeting 日本物理学会2024年春季大会. 2024
- LU, Anh Khoa Augustin, LIN, Jianbo, TAMURA, Ryo, 二村 保徳, 櫻井鉄也, MIYAZAKI, Tsuyoshi. Study of the pressure effects on silica glass with unsupervised learning. 第7回報告会@岡山大学. 2024
2023
- LU, Anh Khoa Augustin, LIN, Jianbo, TAMURA, Ryo, 二村 保徳, 櫻井鉄也, MIYAZAKI, Tsuyoshi. Investigating the structure of silica with locally averaged atomic fingerprints and a novel dimensionality reduction method . 第17回物性科学領域横断研究会. 2023
- LU, Anh Khoa Augustin, LIN, Jianbo, TAMURA, Ryo, 二村 保徳, 櫻井鉄也, MIYAZAKI, Tsuyoshi. Investigating the structural changes in silica with unsupervised learning . 超秩序構造科学第6回報告会. 2023
- LU, Anh Khoa Augustin, LIN, Jianbo, TAMURA, Ryo, 二村 保徳, 櫻井鉄也, MIYAZAKI, Tsuyoshi. Silica phase differentiation via locally averaged atomic fingerprints and unsupervised learning. MANA International Symposium 2023. 2023
- LU, Anh Khoa Augustin, LIN, Jianbo, TAMURA, Ryo, 二村 保徳, 櫻井鉄也, MIYAZAKI, Tsuyoshi. Exploring the structure of silica with unsupervised learning and locally averaged atomic fingerprints. International conference on complex orders in condensed matter: aperiodic order, local order, electronic order, hidden order. 2023
- LU, Anh Khoa Augustin, LIN, Jianbo, TAMURA, Ryo, 二村 保徳, 櫻井鉄也, MIYAZAKI, Tsuyoshi. Structural properties of silica studied by locally-averaged atomic fingerprints: phase differentiation and applications. 788. WE-Heraeus-Seminar: Beyond Imperfections: New Structure-Property Relationships in Ceramics and Glasses. 2023
- LU, Anh Khoa Augustin, LIN, Jianbo, TAMURA, Ryo, 二村 保徳, 櫻井鉄也, MIYAZAKI, Tsuyoshi. Study of silica using two-step locality preserving projections (TS-LPP). 超秩序構造科学・第5回成果報告会@名古屋大学. 2023
2022
- LU, Anh Khoa Augustin, LIN, Jianbo, TAMURA, Ryo, 二村 保徳, 櫻井鉄也, MIYAZAKI, Tsuyoshi. Phase differentiation in silica using two-step locality preserving projections (TS-LPP). 第4回報告会(物質・材料研究機構)学術変革領域研究(A) 超秩序構造が創造する物性科学. 2022
- LU, Anh Khoa Augustin, LIN, Jianbo, TAMURA, Ryo, 二村 保徳, 櫻井鉄也, MIYAZAKI, Tsuyoshi. A classification of the phases of silica using unsupervised machine learning. 超秩序構造科学 第3回成果報告会. 2022
