Distinguished Professor of WPI-AIMR, Tohoku University, Japan Head of the Digital Materials Lab (DigMat)
Sendai, Japan
Joined May 2021
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Big data helps identify key scientific questions in catalysis, and precise microkinetic modeling + experimental validation can help further understand the mechanism! @J_A_C_S
Prof. Hao Li @HaoLiLab_DigCat of AIMR and a research team explained why cobalt phosphide remains active and durable in acidic, neutral, and alkaline environments. The results were published in the @J_A_C_S.
👉wpi-aimr.tohoku.ac.jp/en/ach…
📘Original Article
doi.org/10.1021/jacs.6c17411
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Our invited Perspective is highlighted as Cover Article! @TohokuUnivAIMR
"Physics-Grounded Materials Artificial Intelligence for Reliable Materials Discovery" - Advanced Functional Materials
advanced.onlinelibrary.wiley…
AI changes everything, including sensor materials!
Prof. Hao Li @HaoLiLab_DigCat and Dr. Heng Liu of AIMR have developed a catalytic hydrogen sensor that performs reliably in hot, moisture-rich environments. Published in Advanced Materials (@AdvPortfolio).
👉wpi-aimr.tohoku.ac.jp/en/ach…
📘Original Article
doi.org/10.1002/adma.75476
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Thank you for highlighting our work on PNAS! @PNASNews
Prof. Hao Li @HaoLiLab_DigCat of AIMR and his team have developed MLP Copilot, an AI agent that has made atomic interaction modeling much easier. The results were published in @PNASNews.
👉wpi-aimr.tohoku.ac.jp/en/ach…
📘Original Article
doi.org/10.1073/pnas.2537780…
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Our new collaborative work published on Angew Chem! @TohokuUnivAIMR @angew_chem
"Rare-Earth Terbium Frustrates Deep Reconstruction of Cobalt Sulfide for Long‑Lived Anion Exchange Membrane Water Electrolysis" - Angew. Chem. Int. Ed.
doi.org/10.1002/ange.8233285
AI changes everything, including solid-state battery!
Assoc. Prof. Eric Jianfeng Cheng and Prof. Hao Li @HaoLiLab_DigCat of AIMR published an invited Perspective in Advanced Materials (@AdvPortfolio) on how AI could change solid-electrolyte research.
👉wpi-aimr.tohoku.ac.jp/en/ach…
📘Original Article
doi.org/10.1002/adma.75354
Our new work published! @TohokuUnivAIMR
"Gd‐Mediated Spin‐State Modulation of Co Sites Enhances Oxygen Electrocatalysis in Zn‐Air Battery" - Advanced Science - Wiley Online Library
doi.org/10.1002/advs.78659
Collaborating with Tohoku University researchers, our Viewpoint paper is published in ACS Energy Lett! @TohokuUnivAIMR @ACSEnergyLett
"When Literature Data Can Mislead Artificial Intelligence in Materials Discovery" - ACS Energy Letters pubs.acs.org/aelccp/article-…
Spin is an important variable that determines catalysis!
Prof. Hao Li @HaoLiLab_DigCat of AIMR and his team examined 249 electrocatalysis studies published between 2022 and 2026. The results were published in Accounts of Materials Research (@ACSPublications).
👉wpi-aimr.tohoku.ac.jp/en/ach…
📘Original Article doi.org/10.1021/accountsmr.6…
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Our Viewpoint paper published on ACS Catalysis! @TohokuUnivAIMR @ACSCatalysis
"Predicted, Rarely Validated: A Reality Check on Computational Electrocatalyst Discovery" - ACS Catalysis
pubs.acs.org/accacs/article-…
Our new AI for catalyst design work, in collaboration with UCSD @WanluLi_Lab , published on ACS Catalysis! @ACSCatalysis @TohokuUnivAIMR
"ARCADE: Automated and Interpretable Design of Complex Catalysts" - ACS Catalysis
pubs.acs.org/accacs/article/…
Our new catalysis theory + experimental validation published on JACS! @J_A_C_S @TohokuUnivAIMR
"Operando Surface Dynamics Govern
the pH-Universal Activity and Stability of Cobalt Phosphide for Hydrogen
Evolution"- Journal of the American Chemical Society pubs.acs.org/jacsat/article/…
Our DigHyd paper is also highlighted as Cover Article! @TohokuUnivAIMR
"Digital hydrogen platform (DigHyd): a rigorously curated database for hydrogen storage materials empowered by AI-assisted literature mining" - Applied Physics A
doi.org/10.1007/s00339-026-0…
Our research is highlighted as the Front Cover of @ChemicalScience! @TohokuUnivAIMR
"A closed-loop framework for descriptor-empowered exploration of high-activity Co-based quaternary molten alloy catalysts for methane pyrolysis" - Chemical Science
doi.org/10.1039/d6sc05383a
Our JACS Au Perspective is highlighted as Cover Article! @TohokuUnivAIMR @JACS_Au
"Empowering Polymeric Materials Discovery by Artificial Intelligence" - JACS Au
doi.org/10.1021/jacsau.6c010…
Thank you for highlighting our invited perspective on JACS Au! @JACS_Au
Prof. Li @HaoLiLab_DigCat of AIMR and his team have introduced the idea of “interfacial intelligence,” combining polymer physics, molecular simulations, machine learning, databases, and experiments into a framework for efficient polymer brush design.
👉wpi-aimr.tohoku.ac.jp/en/ach…
Our new work published! @TohokuUnivAIMR
"Grain‐Boundary‐Facilitated Palladium Hydride Formation Enables Humidity‐Tolerant Catalytic Hydrogen Sensing" - Advanced Materials advanced.onlinelibrary.wiley…
😎😎😎
Prof. Li @HaoLiLab_DigCat of AIMR, leading a research team, has developed the Digital Hydrogen Platform, a curated database containing more than 30,000 data entries from over 4,000 experimental publications.
👉wpi-aimr.tohoku.ac.jp/en/ach…
📘Original Article
doi.org/10.1007/s00339-026-0…
We are honored to have Prof. Kou providing such a great talk!
The AIMR Seminar on October 21 featured a talk by Prof. Liangzhi Kou, Queensland University of Technology, Australia, detailing ferroelectric dynamics and their device and catalytic applications.
Researchers from various fields engaged in active discussions.
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