Digital Materials Lab (Hao Li Lab) @HaoLiLab_DigCat
Distinguished Professor of WPI-AIMR, Tohoku University, Japan Head of the Digital Materials Lab (DigMat) li-lab-cat-design.com Sendai, Japan Joined May 2021-
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Thank you for highlighting our new work!
Earlier this year I had to miss my talk at the World Artificial Intelligence Conference — a real regret. Next week, I’ll share those thoughts at the Pujiang Forum, said to be China’s highest-level AI + Chemistry event in 2025. See you Monday!
The good news: AI colleagues reached consensus—LLMs are not “pets to be fed.” Dumping papers in leads to 95%+ hallucinations in chemistry/materials. Even kids feed Ultraman pics into models for fun, but scientists must go beyond kindergarten!
The good news: AI colleagues reached consensus—LLMs are not “pets to be fed.” Dumping papers in leads to 95%+ hallucinations in chemistry/materials. Even kids feed Ultraman pics into models for fun, but scientists must go beyond kindergarten!
Back-to-back last week: 2 keynote talks in the morning in a Changchun "AI+Computation" conference, a seminar talk at Jilin University in the afternoon, and another seminar talk at early next morning at Changchun Institute of Applied Chemistry, Chinese Academy of Sciences.
Our Perspectives on "AI for Environment and Health" is published in Environmental International! @TohokuUnivAIMR “Artificial intelligence technology in environmental research and health: Development and prospects” sciencedirect.com/science/articl…
Our paper "Furfural electrovalorisation to hydrofuroin with near-unity faradaic efficiency on a single-atom zinc catalyst" is highlighted as the Cover Image of EES Catalysis! pubs.rsc.org/en/content/art…
Our paper "Bridging Theory and Experiment: Machine Learning Potential-Driven Insights into pH-Dependent CO₂ Reduction on Sn-Based Catalysts" is highlighted in as the Cover Image in Advanced Functional Materials! advanced.onlinelibrary.wiley.com/doi/10.1002/ad…
Our new work published in Journal of Materials Chemistry A as an invited article! "Insights into the giant magnetocaloric effect in BiCu3Cr4O12 with charge–spin–lattice coupling" - now published in Journal of Materials Chemistry A pubs.rsc.org/en/content/art…
Our new work published in Advanced Functional Materials! "Modulating Surface‐Active Hydrogen for Facilitating Nitrate‐to‐Ammonia Electroreduction on Layered Double Hydroxides Nanosheets" - Advanced Functional Materials - Wiley Online Library advanced.onlinelibrary.wiley.com/doi/10.1002/ad…
Thank you for highlighting our new work!
Thank you for highlighting our new works!
Prof. Li @HaoLiLab_DigCat, Dr. Hashimoto (@TohokuUniv_FRIS) and researchers enabled selection of appropriate materials by constructing an AI-built materials map that unifies literature-based experimental data with representative first-principles data.🗺️ 👉wpi-aimr.tohoku.ac.jp/en/achievement…
Thank you for highlighting our work!
Thank you for highlighting our catalysis theory work on Angew Chem! @angew_chem
Thank you for highlighting our catalysis theory work on Angew Chem! @angew_chem
New collaborative work with the team of Prof. Yabu @YabuLaboratory "Breaking the Single-Molecule Paradigm: Multilayer Cobalt Phthalocyanine/Carbon Core-Shell Structure as the Superior Active Unit for CO2-to-CO Electroreduction" - Appl Catal B-Environ sciencedirect.com/science/articl…

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