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Izumi Takahara

Accelerated inorganic materials design with generative AI agents
2025 · Izumi Takahara, Teruyasu Mizoguchi, et al. · Cell Reports Physical Science · 30
EQCM analysis of intercalation species into graphite positive electrodes for Al batteries
2020 · Shingo Yamagata, Izumi Takahara, et al. · Journal of Alloys and Compounds · 19
Improved Thermal Cyclability of Tertiary Battery Made of Prussian Blue Analogues
2019 · Izumi Takahara, Takayuki Shibata, et al. · ChemistrySelect · 15
Towards Agentic Intelligence for Materials Science
2026 · Zhang, Huan, Li, Yizhan, et al. · arXiv (Cornell University) · 13
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Crystal orbital overlap population based on all-electron ab initio simulation with numeric atom-centered orbitals and its application to chemical-bonding analysis in Li-intercalated layered materials
2024 · Izumi Takahara, Kiyou Shibata, et al. · Modelling and Simulation in Materials Science and Engineering · 12
Generative Inverse Design of Crystal Structures via Diffusion Models with Transformers
2024 · Takahara, Izumi, Shibata, Kiyou, et al. · arXiv (Cornell University) · 10
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First principles study on formation and migration energies of sodium and lithium in graphite
2021 · Izumi Takahara, Teruyasu Mizoguchi · Physical Review Materials · 10
Toward Auditable AI Scientists: A Hypothesis Evolution Protocol for LLM Agents
2026 · Takahara, Izumi, Mizoguchi, Teruyasu · arXiv (Cornell University) · 7
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Roadmap on Advancements of the FHI-aims Software Package
2026 · Joseph W. Abbott, Carlos Mera Acosta, et al. · Electronic Structure · 7
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry
2026 · Roy, Aritra, Shen, Kevin, et al. · arXiv (Cornell University) · 5
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Toward the Atomic-Level Analysis of Ground-State Electronic Structures of Solid Materials via Prediction from Core-Loss Spectra: A Computational Study in Si
2024 · Izumi Takahara, Fumihiko Uesugi, et al. · The Journal of Physical Chemistry C · 3
Prediction of the overlap population diagram of organic molecules based on a graph neural network
2025 · Riuki Nakagawa, Izumi Takahara, et al. · Chemistry Letters · 2
Inverse materials design via joint generation of crystal structures and local electronic descriptors
2026 · Ibuki Okuda, Izumi Takahara, et al. · npj Computational Materials · 1
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Scale-Dependent Input Representation and Confidence Estimation for LLMs in Materials Property Prediction
2026 · Ozawa, Shuichiro, Takahara, Izumi, et al. · arXiv (Cornell University) · 1
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Generative Inverse Estimation of 3D Atomic Coordination from Near-Edge Spectra via Equivariant Diffusion Models
2026 · Okubo, Ren, Fujikata, Yu, et al. · arXiv (Cornell University) · 1
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Hypothesis-Driven Autonomous Materials Synthesis with Multimodal LLM Agents
2026 · Takahara, Izumi, Nishio, Kazunori, et al. · arXiv (Cornell University)
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Inverse analysis of near-edge spectra: toward the prediction of chemical bonding and atomic structure
2026 · Teruyasu Mizoguchi, Poyen Chen, et al. · Journal of Physics Condensed Matter
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Roadmap on Advancements of the FHI-aims Software Package
2025 · Abbott, Joseph W., Acosta, Carlos Mera, et al. · JuSER Publikationsportal
Perov-5
2024 · Takahara, Izumi · TIB Data Manager
Carbon-24
2024 · Takahara, Izumi · TIB Data Manager
Na x Ni[Fe(CN) 6 ] y /Na x Co[Fe(CN) 6 ] y tertiary battery
2019 · Takayuki Shibata, Izumi Takahara, et al. · The Japan Society of Applied Physics
Works count: 25
Citation count: 164
H-index: 8
I10-index: 8
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