Teramae Hiroyuki

テラマエヒロユキ | Teramae Hiroyuki

Affiliation and department：
Job title： Professor

Research field (1)： Basic physical chemistry

Research keywords (4)：計算化学 , 量子化学 , Computational Chemistry , Quantum Chemistry

Research theme for competitive and other funds (13)：

2008 - 現在分子軌道法を用いたナノマテリアル内での化学反応に関する研究
2008 - 現在分子内プロトン移動反応に関する理論的研究
2004 - 現在高次元アルゴリズムによる分子構造最適化の研究
2016 - 2019 Theoretical Study on Relation of Base sequence and Electronic Structures toward Elucidation of Mechanism of DNA Electric Conductivity.
2007 - 2010 タンパク質フォールデイングに関する理論的研究

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Papers (112)：

Hiroyuki TERAMAE. Prediction of log P Parameter Using Molecular Orbital Energies and Machine Learning. Journal of Computer Chemistry, Japan. 2023. 22. 2. 34-36
Takafumi YUUKI,, Wakana NAKAHARA, Hiroyuki TERAMAE. Prediction of Entropy by Machine Learning with Molecular Orbital Energies. Journal of Computer Chemistry, Japan. 2023. 22. 2. 31-33
Hiroyuki TERAMAE, Meiyan XUAN, Jun TAKAYAMA, Mari OKAZAKI, Takeshi SAKAMOTO. Machine Learning Study of Antioxidant Effects with Molecular Orbital Energies as Explanatory Variables. Journal of Computer Chemistry, Japan. 2022. 21. 4. 103-105
Hiroyuki Teramae, Meiyan Xuan, Jun Takayama, Mari Okazaki, Takeshi Sakamoto. Prediction of molecular properties with machine learning and molecular orbital energies. AIP Conference Proceedings. 2022. 2611. 020007
Hiroyuki Teramae, Xuan Meiyan, Tsukasa Yamashita, Jun Takayama, Mari Okazaki, Takeshi Sakamoto. Possible Prediction of Molecular Properties with Machine Learning and Molecular Orbital Energies. Proceedings of International Symposium on Environmental-Life Science and Nanoscales Technology 2019 (ISENT2019). 2020. 17-21

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MISC (4)：

SAGAN Amih, 田島澄恵, 中山尚史, 長嶋雲兵, 寺前裕之, 長岡伸一. H₃⁺,H₃,H₃^-の結合様式と構造. 日本コンピュータ化学会年会講演予稿集. 2014. 2014. 81
Hiroyuki Teramae, Yasuko Y. Maruo. Theoretical study on the reaction mechanism of formation of FLUORAL-P and lutidine derivatives. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 2012. 243
寺前裕之. 計算化学汎用プログラム(第1回)分子設計統合ソフトHyperChem. PETROTECH. 2007. 30. 5. 346-350
Takayoshi Ishimoto, Hiroyuki Teramae, Yuichi Inadomi, Hiroaki Umeda, Toshio Watanabe, Umpei Nagashima. Intramolecular interaction energies during dynamics simulations of oligopeptides by fragment molecular orbital-Hamiltonian algorithm method. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 2006. 232. 379-379

Books (2)：

Lectures and oral presentations (70)：

モデルDNAのHartree-Fock計算(2)
(分子科学討論会2018 2018)
Ab Initio Calculation of Polymononucleotide, a Model of B-type DNA
(French-Japanese Workshop on Computational Method in Chemistry 2018)
Ab Initio Electronic Structure Calculation of Polymononucleotide, a Model of B-type DNA
(ICQC2018 2018)
フェルラ酸のフリーラジカル消去能に関する理論的研究
(日本コンピュータ化学会2018春季年会 2018)
Ab Initio Electronic Structure Calculation of Polymononucleotide, a Model of B-type DNA
(ICCMSE2018 2018)

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Education (3)：

Professional career (3)：

Work history (15)：

2004/04 - 現在 Josai University Faculty of Science Depertment of Chemistry Professor
2009 - 明治大学理工学部兼任講師
2003 - 2005 Rikkyo University College of Science
2003 - 2004 日本電信電話株式会社基礎研究所主任研究員
1985/04/01 - 2003/03/31 日本電信電話株式会社職員(その他)

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Association Membership(s) (6)：

日本化学会 , アメリカ化学会 , 日本コンピュータ化学会 , Society of Computational Chemistry, Japan , Americal Chemical Society , Chemical Society of Japan

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