Search Results - "Kikkawa, Nobuaki"

Finding a novel electrolyte solution of lithium-ion batteries using an autonomous search system based on ensemble optimization by Suzumura, Akitoshi, Ohno, Hiroshi, Kikkawa, Nobuaki, Takechi, Kensuke

“…For an autonomous search for electrolyte solutions in electrochemistry, we performed a search task using a parallel Bayesian optimization method with the best…”
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Microscopic Barrier Mechanism of Ion Transport through Liquid–Liquid Interface by Kikkawa, Nobuaki, Wang, Lingjian, Morita, Akihiro

“…Microscopic mechanism of ion transport through water–oil interface was investigated with molecular dynamics simulation. The formation/breaking of a water…”
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Hydrated Ion Clusters in Hydrophobic Liquid: Equilibrium Distribution, Kinetics, and Implications by Wang, Lingjian, Kikkawa, Nobuaki, Morita, Akihiro

“…Hydrophilic ions in oil phase tend to be hydrated in the presence of trace water and form hydrated clusters. The present paper elucidates the equilibrium size…”
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The origins of binding specificity of a lanthanide ion binding peptide by Hatanaka, Takaaki, Kikkawa, Nobuaki, Matsugami, Akimasa, Hosokawa, Yoichi, Hayashi, Fumiaki, Ishida, Nobuhiro

“…Lanthanide ions (Ln 3+ ) show similar physicochemical properties in aqueous solutions, wherein they exist as + 3 cations and exhibit ionic radii differences of…”
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Interfacial Distribution of Nafion Ionomer Thin Films on Nitrogen-Modified Carbon Surfaces by Yoshimune, Wataru, Kikkawa, Nobuaki, Yoneyama, Hiroaki, Takahashi, Naoko, Minami, Saori, Akimoto, Yusuke, Mitsuoka, Takuya, Kawaura, Hiroyuki, Harada, Masashi, Yamada, Norifumi L., Aoki, Hiroyuki

“…Chemically modified carbon supports for the cathode catalyst layers of polymer electrolyte fuel cells (PEFCs) show considerable promise for boosting the oxygen…”
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Surface Acidity of Water Probed by Free Energy Calculation for Trimethylamine Protonation by Tabe, Yusuke, Kikkawa, Nobuaki, Takahashi, Hideaki, Morita, Akihiro

“…Surface acidity/basicity of water has been elusive, due to contradicting observations from various aspects. One effective definition has been proposed by…”
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Molecular dynamics study of phase transfer catalyst for ion transfer through water–chloroform interface by Kikkawa, Nobuaki, Ishiyama, Tatsuya, Morita, Akihiro

“…[Display omitted] ► Phase transfer catalyst (PTC) at liquid–liquid interface is analyzed by MD simulation. ► PTC influences on free energy profiles for ion…”
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Reply to “Comment on ‘Surface Acidity of Water Probed by Free Energy Calculation for Trimethylamine Protonation’” by Tabe, Yusuke, Kikkawa, Nobuaki, Takahashi, Hideaki, Morita, Akihiro

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Comprehensive Molecular Dynamics Study of Oxygen Diffusion in Carbon Mesopores: Insights for Designing Fuel-Cell Catalyst Supports by Kikkawa, Nobuaki, Kimura, Masayuki

“…Mesoporous carbon is often used as a support for platinum catalysts in polymer electrolyte fuel-cell catalyst layers. Mesopores in the carbon support improve…”
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Does an Ionomer Penetrate a Carbon Mesopore? Free-Energy Analysis Using Molecular Dynamics Simulations by Kikkawa, Nobuaki, Jinnouchi, Ryosuke

“…Mesoporous carbon support enhances the catalytic activity and gas diffusivity of the cathode catalyst layers of polymer-electrolyte fuel cells. The key role of…”
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Self-Learning Molecular Design for High Lithium-Ion Conductive Ionic Liquids using Maze Game by Kikkawa, Nobuaki, Kajita, Seiji, Takechi, Kensuke

“…A self-learning artificial intelligence system for an autonomous molecular search was recently utilized in place of laborious material development processes by…”
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Mechanism of Ionomer Film Formation via Solution Drying by Kinjo, Tomoyuki, Hasegawa, Naoki, Yamakawa, Shunsuke, Kikkawa, Nobuaki, Jinnouchi, Ryosuke

“…Film formation via the drying of ionomer solutions is a crucial process that has a strong influence on the morphology and transport properties of polymer…”
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Autonomous Search for Polymers with High Thermal Conductivity Using a Rapid Green–Kubo Estimation by Nagoya, Akihiro, Kikkawa, Nobuaki, Ohba, Nobuko, Baba, Takeshi, Kajita, Seiji, Yanai, Kazuma, Takeno, Takanori

“…A rapid Green–Kubo (GK) estimation method was developed herein to evaluate the thermal conductivity of linear amorphous polymers by using equilibrium molecular…”
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Accurate Multiscale Simulation of Frictional Interfaces by Quantum Mechanics/Green’s Function Molecular Dynamics by Kajita, Seiji, Pacini, Alberto, Losi, Gabriele, Kikkawa, Nobuaki, Righi, Maria Clelia

“…Understanding frictional phenomena is a fascinating fundamental problem with huge potential impact on energy saving. Such an understanding requires monitoring…”
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Extraction of component bases from mixed spectra using non-negative matrix factorization with dissimilarity regularization by Kikkawa, Nobuaki, Suzumura, Akitoshi, Nishikawa, Kazutaka, Tajima, Shin, Kajita, Seiji

“…We propose a method of automatic pattern decomposition for mixed spectra, based on non-negative matrix factorization. This method uses a regularization term…”
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Unified theory of upper confidence bound policies for bandit problems targeting total reward, maximal reward, and more by Kikkawa, Nobuaki, Ohno, Hiroshi

“…The upper confidence bound (UCB) policy is recognized as an order-optimal solution for the classical total-reward bandit problem. While similar UCB-based…”
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Materials Discovery using Max K-Armed Bandit by Kikkawa, Nobuaki, Ohno, Hiroshi

“…Search algorithms for the bandit problems are applicable in materials discovery. However, the objectives of the conventional bandit problem are different from…”
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A report of two cases--two patients of the extremely advanced hepatocellular carcinoma have responded completely for a long time after a combination therapy consisting of arterial chemotherapy and injection of interferon-alpha by Iijima, Shohei, Kikkawa, Nobuaki, Kurokawa, Eiji, Yamamoto, Hitoshi, Kato, Takeshi, Tsujie, Masaki, Ohshima, Satoshi, Hayashi, Taro, Naoi, Yasuto, Hatanaka, Toshihiro, Danno, Michiki, Sakon, Masato, Nagano, Hiroaki, Dono, Keizo, Nakamori, Shoji, Umeshita, Koji, Monden, Morito

“…The prognosis of advanced hepatocellular carcinoma (HCC) is extremely poor. Patient 1 was a 43-year-old male with major portal tumor thrombi. He received…”
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Accurate multiscale simulation of frictional interfaces by Quantum Mechanics/Green's Function molecular dynamics by Kajita, Seiji, Pacini, Alberto, Losi, Gabriele, Kikkawa, Nobuaki, Righi, Maria Clelia

“…Understanding frictional phenomena is a fascinating fundamental problem with huge potential impact on energy saving. Such an understanding requires monitoring…”
Get full text