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Digital hydrogen platform (DigHyd): a rigorously curated database for hydrogen storage materials empowered by AI-assisted literature mining
Seong-Hoon Jang, Di Zhang, Xue Jia, Hung Ba Tran, Linda Zhang, Ryuhei Sato, Yusuke Hashimoto, Toyoto Sato, Kiyoe Konno, Shin-ichi Orimo, Hao Li
Applied Physics A 2026/10
DOI：
10.1007/s00339-026-09903-6
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Competing hydrogenation pathways to metastable CaH6 revealed by machine learning potential molecular dynamics
Ryuhei Sato, Peter I. C. Cooke, Maélie Caussé, Hung Ba Tran, Seong Hoon Jang, Di Zhang, Hao Li, Shin-ichi Orimo, Yasushi Shibuta, Chris J. Pickard
Physical Review B 2026/08/05
DOI：
10.1103/pb7t-5bj1
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A unified descriptor framework for hydrogen storage capacity and equilibrium pressure in interstitial hydrides
Seong-Hoon Jang, Di Zhang, Xue Jia, Hung Ba Tran, Linda Zhang, Ryuhei Sato, Yusuke Hashimoto, Yusuke Ohashi, Toyoto Sato, Kiyoe Konno, Shin-ichi Orimo, Hao Li
Chemical Science 2026/03
DOI：
10.1039/D6SC03089K
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Hybrid sampling approach to machine-learning potentials for gas adsorption: Hydrogen adsorption in MOF-303
Kartik Sau, Ikutaro Hamada, Tamio Ikeshoji, Yiming Lu, Susmita Roy, Shohichi Furukawa, Linda Zhang, Hung Ba Tran, Takahiro Kondo, Hao Li, Shin-ichi Orimo
ChemRxiv 2026/02/04
Publisher:
American Chemical Society (ACS)
DOI：
10.26434/chemrxiv-2025-dkt8s/v2
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Tuning Stability of AB 3 -Type Alloys by Suppressing Magnetism
Hung Ba Tran, Toyoto Sato, Ryuhei Sato, Hiroyuki Saitoh, Shin-Ichi Orimo, Hao Li
Chemistry of Materials 38 (1) 497-507 2026/01/01
Publisher:
American Chemical Society (ACS)
DOI：
10.1021/acs.chemmater.5c02960
ISSN：
0897-4756
eISSN：
1520-5002
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Digital materials ecosystem: from databases to AI agents for autonomous discovery
Di Zhang, Xue Jia, Yuhang Wang, Heng Liu, Qian Wang, Seong-Hoon Jang, Daksh Shah, Songbo Ye, Hung Ba Tran, Hao Li
Chemical Science 2026
DOI：
10.1039/D5SC09229A
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“DIVE” into hydrogen storage materials discovery with AI agents
Di Zhang, Xue Jia, Hung Ba Tran, Seong Hoon Jang, Linda Zhang, Ryuhei Sato, Yusuke Hashimoto, Toyoto Sato, Kiyoe Konno, Shin-ichi Orimo, Hao Li
Chemical Science 2026
DOI：
10.1039/D5SC09921H
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2D Topological Electrocatalysts with Spin–Orbit Coupling: Interplay between the “Electrochemical” and “Topological” Surface States
Heng Liu, Hung Ba Tran, Yuan Wang, Di Zhang, Yiming Lu, Hao Li
The Journal of Physical Chemistry Letters 12892-12899 2025/12/09
Publisher:
American Chemical Society (ACS)
DOI：
10.1021/acs.jpclett.5c03589
ISSN：
1948-7185
eISSN：
1948-7185
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Physically interpretable descriptors drive the materials design of metal hydrides for hydrogen storage
Peer-reviewed
Seong-Hoon Jang, Di Zhang, Hung Ba Tran, Xue Jia, Kiyoe Konno, Ryuhei Sato, Shin-ichi Orimo, Hao Li
Chemical Science 16 (48) 23111-23120 2025
Publisher:
Royal Society of Chemistry (RSC)
DOI：
10.1039/d5sc07296d
ISSN：
2041-6520
eISSN：
2041-6539
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Insights into the giant magnetocaloric effect in BiCu3Cr4O12 with charge–spin–lattice coupling
Invited
Peer-reviewed
Hung Ba Tran, Hao Li, Masato Goto, Kazunori Sato, Yuichi Shimakawa
Journal of Materials Chemistry A 2025
DOI：
10.1039/D5TA03354C
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Realistic finite temperature simulations for the magnetic and transport properties of ferromagnets
Peer-reviewed
Hung Ba Tran, Hao Li
Journal of Materials Chemistry C 2025
DOI：
10.1039/D5TC01141H
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CrossMat: Integrating Material Databases for Multi-Domain Cross-Application
Di Zhang, Xue Jia, Hung Ba Tran, Fangling Yang, Qian Wang, Hanghui Liu, Yaping Qi, Eric Jianfeng Cheng, Hao Li
2024/12/30
DOI：
10.26434/chemrxiv-2024-p9fvc
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Temperature and size dependence of energy barrier for magnetic flips in L10 FePt nanoparticles: A theoretical study
Peer-reviewed
Hung Ba Tran, Yu-ichiro Matsushita
Scripta Materialia 2024/03
DOI：
10.1016/j.scriptamat.2023.115947
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Skyrmions in van der Waals centrosymmetric materials with Dzyaloshinskii–Moriya interactions
Peer-reviewed
Hung Ba Tran, Yu-ichiro Matsushita
Scripta Materialia 2024/01
DOI：
10.1016/j.scriptamat.2023.115799
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Dzyaloshinskii-Moriya interactions in Nd2Fe14B as the origin of spin reorientation and the rotating magnetocaloric effect
Peer-reviewed
Hung Ba Tran, Yu-ichiro Matsushita
Applied Materials Today 2023/06
DOI：
10.1016/J.APMT.2023.101825
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Direct and inverse magnetocaloric effects in FeRh alloy
Peer-reviewed
Hung Ba Tran, Tetsuya Fukushima, Hiroyoshi Momida, Kazunori Sato, Yukihiro Makino, Tamio Oguchi
Journal of Alloys and Compounds 926 166718-166718 2022/12
DOI：
10.1016/j.jallcom.2022.166718
ISSN：
0925-8388
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Effect of magnetocrystalline anisotropy on magnetocaloric properties of an AlFe2B2 compound
Peer-reviewed
Hung Ba Tran, Hiroyoshi Momida, Yu-ichiro Matsushita, Kazunori Sato, Yukihiro Makino, Koun Shirai, Tamio Oguchi
Physical Review B 105 (13) 2022/04/06
Publisher:
American Physical Society ({APS})
DOI：
10.1103/PhysRevB.105.134402
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Insight into anisotropic magnetocaloric effect of CrI3
Peer-reviewed
Hung Ba Tran
Acta Materialia 117851-117851 2022/03
DOI：
10.1016/J.ACTAMAT.2022.117851
ISSN：
1359-6454
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Effect of magnetocrystalline anisotropy on magnetocaloric properties of AlFe$_{2}$B$_{2}$ compound
Hung Ba Tran
ArXiv 2021
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Anisotropic magnetocaloric effect of CrI$_{3}$: A theoretical study
Hung Ba Tran
ArXiv 2021
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Tuning structural-transformation temperature toward giant magnetocaloric effect in MnCoGe alloy: A theoretical study
Peer-reviewed
Tran, H.B., Fukushima, T., Sato, K., Makino, Y., Oguchi, T.
Journal of Alloys and Compounds 854 2021
DOI：
10.1016/j.jallcom.2020.157063
ISSN：
0925-8388
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Theoretical prediction of large anisotropic magnetocaloric effect in MnP
Peer-reviewed
Tran, H.B., Fukushima, T., Momida, H., Sato, K., Makino, Y., Oguchi, T.
Computational Materials Science 188 2021
DOI：
10.1016/j.commatsci.2020.110227
ISSN：
0927-0256
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Magnetocaloric effect in MnCoGe alloys studied by first-principles calculations and Monte-Carlo simulation
Peer-reviewed
Tran, H.B., Fukushima, T., Makino, Y., Oguchi, T.
Solid State Communications 323 2021
DOI：
10.1016/j.ssc.2020.114077
ISSN：
0038-1098
https://orcid.org/0000-0001-5508-3956