Zobrazeno 1 - 8 of 8 pro vyhledávání: '"Hiroki Sugisawa"'
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Akademický článek
Machine learning prediction of the mechanical properties of injection-molded polypropylene through X-ray diffraction analysis
Autor: Ryo Tamura, Kenji Nagata, Keitaro Sodeyama, Kensaku Nakamura, Toshiki Tokuhira, Satoshi Shibata, Kazuki Hammura, Hiroki Sugisawa, Masaya Kawamura, Teruki Tsurimoto, Masanobu Naito, Masahiko Demura, Takashi Nakanishi
Publikováno v: Science and Technology of Advanced Materials (2024)
Predicting the mechanical properties of polymer materials using machine learning is essential for the design of next-generation of polymers. However, the strong relationship between the higher-order structure of polymers and their mechanical properti
Externí odkaz: https://doaj.org/article/830a42b633184e20875077cae6e2e308
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3
Sequential Nucleophilic Substitution of Phosphorus Trichloride with Alcohols in a Continuous-Flow Reactor and Consideration of a Mechanism for Reduced Over-reaction through the Addition of Imidazole
Autor: Hiroshi Kitamura, Yuma Otake, Naoto Sugisawa, Hiroki Sugisawa, Tomonori Ida, Hiroyuki Nakamura, Shinichiro Fuse
Publikováno v: Chemistry (Weinheim an der Bergstrasse, Germany). 28(37)
We demonstrate a sequential nucleophilic substitution of highly electrophilic and inexpensive phosphorus trichloride with three different alcohols in a continuous-flow reactor. A variety of alcohols including ones that contained acid- and/or basic-la
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a9614095080ff832bdd4661e92e3fb0d
https://pubmed.ncbi.nlm.nih.gov/35481688
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5
Quantum structural fluctuations of protonated water clusters (H2O) H+ (n = 1 − 4) studied by variational molecular dynamics method
Autor: Hiroki Sugisawa, Shinichi Miura, Tomonori Ida
Publikováno v: Journal of Molecular Liquids. 284:157-162
In this study, we propose an efficient method to optimize trial wavefunction of many-body ground states using a variational molecular dynamics method [S. Miura, Chem. Phys. Lett. 482 (2009) 165] and apply our method to investigate the quantum propert
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::806f8367c4cf99ee6bc977c1fd684ea5
https://doi.org/10.1016/j.molliq.2019.03.170
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6
Gaussian process model of 51-dimensional potential energy surface for protonated imidazole dimer
Autor: Hiroki Sugisawa, Roman V. Krems, Tomonori Ida
Publikováno v: The Journal of chemical physics. 153(11)
The goal of the present work is to obtain accurate potential energy surfaces (PES) for high-dimensional molecular systems with a small number of ${\it ab}$ ${\it initio}$ calculations in a system-agnostic way. We use probabilistic modeling based on G
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4d61d58187cda394e70af5c2a7592a70
https://pubmed.ncbi.nlm.nih.gov/32962371
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7
A novel approach to Bohmian mechanics using an uncompressed particle method
Autor: Hiroki Sugisawa, Motohiro Mizuno, Tomonori Ida, Yuta Hori
Publikováno v: Physica E: Low-dimensional Systems and Nanostructures. 104:320-326
We propose extending Bohmian mechanics (BM) with the moving particle semi-implicit method, a particle method for uncompressed fluids. The application of this method prevents the node of the Bohm quantum potential from breaking numerical calculations
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::b6b92af1f4606b3aae6cca7e3c7165d3
https://doi.org/10.1016/j.physe.2018.08.007
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