Search Results - "Aoyagi, Mutsumi"

Molecular-Cluster-Assembly Method for Analysis of High-Dimensional Structures of p-Cresol Chains in Phenolic Polymers by Ho, Shirun, Aoyagi, Mutsumi

“…A new method for analyzing oriented structures of polymers and their formation processes, called “molecular‐cluster‐assembly” (MoCA), is proposed. With this…”
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Analyzing and mitigating the impact of manufacturing variability in power-constrained supercomputing by Inadomi, Yuichi, Patki, Tapasya, Inoue, Koji, Aoyagi, Mutsumi, Rountree, Barry, Schulz, Martin, Lowenthal, David, Wada, Yasutaka, Fukazawa, Keiichiro, Ueda, Masatsugu, Kondo, Masaaki, Miyoshi, Ikuo

“…A key challenge in next-generation supercomputing is to effectively schedule limited power resources. Modern processors suffer from increasingly large power…”
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Interaction and Localization of One-Electron Orbitals in an Organic Molecule: Fictitious Parameter Analysis for Multiphysics Simulations by TAKAMI, Toshiya, MAKI, Jun, OOBA, Jun-Ichi, KOBAYASHI, Taizo, NOGITA, Rie, AOYAGI, Mutsumi

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Molecular‐ C luster‐ A ssembly Method for Analysis of High‐ D imensional Structures of p ‐ C resol Chains in Phenolic Polymers by Ho, Shirun, Aoyagi, Mutsumi

“…Abstract A new method for analyzing oriented structures of polymers and their formation processes, called “molecular‐cluster‐assembly” (MoCA), is proposed…”
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Macromol. Theory Simul. 9∕2013 by Ho, Shirun, Aoyagi, Mutsumi

“…Cover: p‐Cresol chains are analyzed by a new method referred to as molecular‐cluster‐assembly. Molecular structures from top and side views are comprised of…”
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A theoretical study of the potential energy surface of butadiene in the excited states by Aoyagi, Mutsumi, Osamura, Yoshihiro

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Numerical study on the function of tone holes of a recorder like instrument from the viewpoint of the aerodynamic sound theory by Iwasaki, Takuya, Kobayashi, Taizo, Takahashi, Kin’ya, Takami, Toshiya, Nishida, Akira, Aoyagi, Mutsumi

“…We have investigated properties of tone holes of a small recorder like instrument by using compressible large-eddy simulation (LES), which reproduces fluid…”
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Effective techniques and crucial problems of numerical study on flue instruments by Takahashi, Kin'ya, Iwasaki, Takuya, Akamura, Takahiro, Nagao, Yuki, Nakano, Ken'ichiro, Kobayashi, Taizo, Takami, Toshiya, Nishida, Akira, Aoyagi, Mutsumi

“…In the last several decades, there have been many important proposals for study on flue instruments from theoretical and experimental points of view. Analyses…”
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Numerical analysis of the interaction between fluid flow and acoustic field at the mouth-opening of a flue instrument by Akamura, Takahiro, Nagao, Yuki, Iwasaki, Takuya, Nakano, Ken'ichiro, Takahashi, Kin'ya, Kobayashi, Taizo, Takami, Toshimi, Nishida, Akira, Aoyagi, Mutsumi

“…The fluid-sound interaction is the key to understanding the sounding mechanism of flue instruments. The formula introduced by Howe allows us to estimate the…”
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Coupled-Simulation e-Science Support in the NAREGI Grid : e-Science by MATSUOKA, Satoshi, SAGA, Kazushige, AOYAGI, Mutsumi

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Computational chemistry and bioinformatics: grid computing for protein simulation by Aoyagi, Mutsumi, Ka, Kirin

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Theoretical study of water-induced oxidation reaction on a bare Si surface: H2O+Si(100)–(2×1) by Watanabe, Hidekazu, Nanbu, Shinkoh, Wang, Zhi-Hong, Aoyagi, Mutsumi

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Noble Gas Clusters Doped with a Metal Ion I:  Ab Initio Studies of Na+Arn by NAGATA, Takeshi, AOYAGI, Mutsumi, IWATA, Suehiro

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Coupled-Simulation e-Science Support in the NAREGI Grid by Matsuoka, S., Saga, K., Aoyagi, M.

“…NAREGI's middleware stack provides comprehensive support for coupled applications in the nanoscience discipline. The authors describe several mechanisms that…”
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Theoretical study of water-induced oxidation reaction on a bare Si surface: H 2O + Si(1 0 0)–(2 × 1) by Watanabe, Hidekazu, Nanbu, Shinkoh, Wang, Zhi-Hong, Aoyagi, Mutsumi

“…Structures of the local minima and TSs are optimized for the water-attached Si(1 0 0) surface from the reactant via the metastable state M to two oxidation…”
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Noble Gas Clusters Doped with a Metal Ion I:  Ab Initio Studies of Na+Ar n by Nagata, Takeshi, Aoyagi, Mutsumi, Iwata, Suehiro

“…The geometric structures and stability of Na+Ar n clusters were studied with ab initio molecular orbital methods. The clusters of n = 6, 8, and 10 have a high…”
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Japanese Computational Grid Research Project: NAREGI by Matsuoka, S., Shinjo, S., Aoyagi, M., Sekiguchi, S., Usami, H., Miura, K.

“…The National Research Grid Initiative (NAREGI) is one of the major Japanese national IT projects currently being conducted. NAREGI will cover the period…”
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Interaction and Localization of One-Electron Orbitals in an Organic Molecule by Takami, Toshiya, Maki, Jun, Ooba, Jun-ichi, Kobayashi, Taizo, Nogita, Rie, Aoyagi, Mutsumi

“…We present a new methodology for analyzing complicated multiphysics simulations by introducing a fictitious parameter. Using the method, we study the quantum…”
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Japanese computational grid research project : NAREGI: Grid computing by MATSUOKA, Satoshi, SHIMOJO, Sinji, AOYAGI, Mutsumi, SEKIGUCHI, Satoshi, USAMI, Hitohide, MIURA, Kenichi

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H atom-induced oxidation reaction on water-terminated Si surface, 2H + H 2O/Si(1 0 0)–(2 × 1): A theoretical study by Watanabe, Hidekazu, Wang, Zhi-Hong, Nanbu, Shinkoh, Maki, Jun, Urisu, Tsuneo, Aoyagi, Mutsumi, Ooi, Kenta

“…The reported oxidation reaction observed by BML-IRRAS spectra on the silicon surface system, 2H + H 2O/Si(1 0 0), has been studied by an ab initio molecular…”
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