Atsushi Ishikawa 研究室

主宰者：Atsushi Ishikawa

東京工業大学

AI 要約（直近 5 年の研究成果）

要約はまだ生成されていません。

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研究成果（36 件）

[2026] The Role of Ni in Stabilizing BaZrO 3 Surfaces at Ni/BaZrO 3 Interfaces: A Density Functional Theory Analysis
DOI: https://doi.org/10.1021/acs.langmuir.5c06802
[2026] Clinical evaluation of the i-gel Plus supraglottic airway in Japanese patients: A prospective observational study
DOI: https://doi.org/10.1371/journal.pone.0349108
[2025] Self-Supervised Learning by Element Shuffling for Material Property Prediction
DOI: https://doi.org/10.1016/j.procs.2025.07.134
[2025] Empirical equations, simply modeled for different chromatograms: A case of the overlapped elution curves of 7Li and 6Li, and a selective extraction of a 6Li concentrate from the overlap end
DOI: https://doi.org/10.1016/j.nexres.2025.100423
[2024] Procrystalline Self-Assembly of Desymmetrized Pentaphenylcyclopentadiene
DOI: https://doi.org/10.1021/acs.jpclett.4c01364
[2024] Active Learning for Graph Neural Networks Training in Catalyst Energy Prediction
DOI: https://doi.org/10.1109/ijcnn60899.2024.10650978
[2024] Machine‐learning descriptor search on the density of states profile of bimetallic alloy systems and comparison with the d‐band center theory
DOI: https://doi.org/10.1002/jcc.27360
[2024] On-Surface Synthesis of Polyene-Linked Porphyrin Cooligomer
DOI: https://doi.org/10.1021/acsnano.3c12849
[2024] Oxidative Desorption Behavior of Sulfur Species from Pt and Pt Based Alloy Single Crystal Surfaces
DOI: https://doi.org/10.1149/ma2024-02583919mtgabs
[2024] Theoretical Catalyst Screening of Multielement Alloy Catalysts for Ammonia Synthesis Using Machine Learning Potential and Generative Artificial Intelligence
DOI: https://doi.org/10.1021/acs.jpcc.4c04018

続きを表示（残り 26 件）

[2024] Potential-Dependent and Face Orientation-Dependent Electrochemical Oxidative Desorption Behavior of Sulfur Species Adsorbed on Platinum Single-Crystal Surfaces
DOI: https://doi.org/10.1021/acs.jpcc.4c03227
[2023] Critical impacts of interfacial water on C–H activation in photocatalytic methane conversion
DOI: https://doi.org/10.1038/s42004-022-00803-3
[2023] High-throughput computational screening of doped transition metal oxides as catalysts for nitrogen reduction
DOI: https://doi.org/10.1016/j.xcrp.2023.101595
[2023] Facilitating methane conversion and hydrogen evolution on platinized gallium oxide photocatalyst through liquid-like water nanofilm formation
DOI: https://doi.org/10.1016/j.cattod.2023.114375
[2023] Rücktitelbild: Magnetism in Nonplanar Zigzag Edge Termini of Graphene Nanoribbons (Angew. Chem. 24/2023)
DOI: https://doi.org/10.1002/ange.202305499
[2023] Accelerating Hybrid DFT Simulations Using Performance Modeling on Supercomputers
DOI: https://doi.org/10.1109/ccgrid57682.2023.00055
[2023] Magnetism in Nonplanar Zigzag Edge Termini of Graphene Nanoribbons
DOI: https://doi.org/10.1002/anie.202302534
[2023] Magnetism in Nonplanar Zigzag Edge Termini of Graphene Nanoribbons
DOI: https://doi.org/10.1002/ange.202302534
[2023] Bismuth phosphate nanoparticle catalyst for direct oxidation of methane into formaldehyde
DOI: https://doi.org/10.1039/d3cy00590a
[2023] Self-Supervised Learning with Atom Replacement for Catalyst Energy Prediction by Graph Neural Networks
DOI: https://doi.org/10.1016/j.procs.2023.08.184
[2023] Critical impacts of interfacial water on C-H activation in photocatalytic methane conversion
[2022] Heterogeneous catalyst design by generative adversarial network and first-principles based microkinetics
DOI: https://doi.org/10.1038/s41598-022-15586-9
[2022] Acceleration of Density Functional Theory by Optimizing Self-Consistent Field Calculation Conditions
DOI: https://doi.org/10.2477/jccj.2022-0027
[2022] Data integration for multiple alkali metals in predicting coordination energies based on Bayesian inference
[2022] Crystal Structure-Controlled Electrocatalysis on Iron-Based Oxides Toward Oxygen Evolution in Alkaline Media: Trend and Mechanism
DOI: https://doi.org/10.1149/ma2022-02441689mtgabs
[2022] Data integration for multiple alkali metals in predicting coordination energies based on Bayesian inference
DOI: https://doi.org/10.1080/27660400.2022.2108353
[2022] Favorable Role of the Metal–Support Perimeter Region in Electrochemical NH3 Synthesis: A Density Functional Theory Study on Ru/BaCeO3
DOI: https://doi.org/10.1021/acsomega.2c01222
[2021] Efficient Oxygen Evolution Electrocatalysis on CaFe2O4 and Its Reaction Mechanism
DOI: https://doi.org/10.1021/acsaem.0c02710
[2021] C–H Bond Activation of Methane through Electronic Interaction with Pd(110)
DOI: https://doi.org/10.1021/acs.jpcc.0c09537
[2021] C–H Bond Activation of Methane through Electronic Interaction with Pd(110)
[2021] Theoretical prediction by DFT and experimental observation of heterocation-doping effects on hydrogen adsorption and migration over the CeO 2 (111) surface
DOI: https://doi.org/10.1039/d0cp05752e
[2021] On‐Surface Synthesis of Porphyrin‐Complex Multi‐Block Co‐Oligomers by Defluorinative Coupling
DOI: https://doi.org/10.1002/anie.202114697
[2021] On‐Surface Synthesis of Porphyrin‐Complex Multi‐Block Co‐Oligomers by Defluorinative Coupling
DOI: https://doi.org/10.1002/ange.202114697
[2021] Manipulation of CO adsorption over Me1/CeO2 by heterocation doping: Key roles of single-atom adsorption energy
DOI: https://doi.org/10.1063/5.0049582
[2021] Hybrid Functional Study of H-Abstraction from Methane by Li-Doped, Pristine and Stepped MgO(100) and MgO(110) Surfaces
[2021] A First-Principles Microkinetics for Homogeneous–Heterogeneous Reactions: Application to Oxidative Coupling of Methane Catalyzed by Magnesium Oxide
DOI: https://doi.org/10.1021/acscatal.0c04104

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AI 要約（直近 5 年の研究成果）

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関連研究室(8 件)

研究成果（36 件）

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