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5 results in Authors: Yuji Nakano

Materials Science

Understanding the emergence of the boson peak in molecular glasses

Mario González-Jiménez, Trent Barnard, Ben Russell, Nikita Tukachev, Uroš Javornik, Laure-Anne Hayes, Andrew Farrell, Sarah Guinane, Hans Senn, Andrew Smith, Martin Wilding, Gregor Mali, Motohiro Nakano, Yuji Miyazaki, Paul McMillan, Gabriele Sosso, Klaas Wynne

Version 4 posted 16 December 2022

769

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Physical Chemistry

Geometry Optimization using the Frozen Domain and Partial Dimer Approach with the Fragment Molecular Orbital Method: Implementation, Benchmark, and Application for Ligand-Binding Site of Proteins

Koji Okuwaki, Naoki Watanabe, Koichiro Kato, Chiduru Watanabe, Naofumi Nakayama, Akifumi Kato, Yuji Mochizuki, Tatsuya Nakano, Teruki Honma, Kaori Fukuzawa

Version 1 posted 24 July 2024

225

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Theoretical and Computational Chemistry

Large-scale FMO-MP2 calculations of the spike protein droplet model

Hideo Doi, Tatsuya Nakano, Kota Sakakura, Kazuki Akisawa, Koji Okuwaki, Yoshinori Hirano, Eiji Yamamoto, Kenji Yasuoka, Satoshi Ohshima, Takahiro Katagiri, Yuji Mochizuki

Version 1 posted 29 November 2024

116

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Organic Chemistry

Phosphine mediated (3 + 2) cycloaddition of electron-poor terminal alkynes: a concise route to pre-methylenomycin C lactone.

Alexander Wright, Chenxi Zhang, Jing Cao, Yuji Nakano, Lucia Sanchez, Julia DeBono, Sankeert Kapatkar, Gregory Challis, David Lupton

Version 1 posted 08 May 2025

132

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Theoretical and Computational Chemistry

Concurrent processing of VQE-UCCSD calculations with the FMO scheme

Hideo Doi, Kenji Sugisaki, Tatsuya Nakano, Takahiro Katagiri, Yuji Mochizuki

Version 1 posted 06 March 2025

123

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