倉重 佑輝

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氏名(漢字/フリガナ/アルファベット表記)
倉重 佑輝/クラシゲ ユウキ/Kurashige, Yuki
所属部署・職名(部局/所属/講座等/職名)
理学研究科/化学専攻理論化学講座/准教授
学部兼担
部局 所属 講座等 職名
理学部
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修士(工学) 東京大学
博士(工学) 東京大学
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URL
http://kuchem.kyoto-u.ac.jp/riron/kura/jindex.html
researchmap URL
https://researchmap.jp/kurashige
論文
著者 著者(日本語) 著者(英語) タイトル タイトル(日本語) タイトル(英語) 書誌情報等 書誌情報等(日本語) 書誌情報等(英語) 出版年月 査読の有無 記述言語 掲載種別 公開
Yuta Matsuzawa, Yuki Kurashige Yuta Matsuzawa, Yuki Kurashige Jastrow-type Decomposition in Quantum Chemistry for Low-Depth Quantum Circuits Jastrow-type Decomposition in Quantum Chemistry for Low-Depth Quantum Circuits Journal of Chemical Theory and Computation, 16, 2, 944-952 Journal of Chemical Theory and Computation, 16, 2, 944-952 , 16, 2, 944-952 2020 公開
Avijit Ghosh, Manabu Yoshida, Kouji Suemori, Hiroaki Isago, Nagao Kobayashi, Yasuhisa Mizutani, Yuki Kurashige, Izuru Kawamura, Masami Nirei, Osamu Yamamuro, Tomohisa Takaya, Koichi Iwata, Akinori Saeki, Kazuhiko Nagura, Shinsuke Ishihara, Takashi Nakanishi Avijit Ghosh, Manabu Yoshida, Kouji Suemori, Hiroaki Isago, Nagao Kobayashi, Yasuhisa Mizutani, Yuki Kurashige, Izuru Kawamura, Masami Nirei, Osamu Yamamuro, Tomohisa Takaya, Koichi Iwata, Akinori Saeki, Kazuhiko Nagura, Shinsuke Ishihara, Takashi Nakanishi Avijit Ghosh, Manabu Yoshida, Kouji Suemori, Hiroaki Isago, Nagao Kobayashi, Yasuhisa Mizutani, Yuki Kurashige, Izuru Kawamura, Masami Nirei, Osamu Yamamuro, Tomohisa Takaya, Koichi Iwata, Akinori Saeki, Kazuhiko Nagura, Shinsuke Ishihara, Takashi Nakanishi Soft chromophore featured liquid porphyrins and their utilization toward liquid electret applications. Soft chromophore featured liquid porphyrins and their utilization toward liquid electret applications. Soft chromophore featured liquid porphyrins and their utilization toward liquid electret applications. Nature communications, 10, 1, 4210-4210 Nature communications, 10, 1, 4210-4210 Nature communications, 10, 1, 4210-4210 2019/09/30 英語 公開
Soichiro Nishio, Yuki Kurashige Soichiro Nishio, Yuki Kurashige Soichiro Nishio, Yuki Kurashige Rank-one basis made from matrix-product states for a low-rank approximation of molecular aggregates Rank-one basis made from matrix-product states for a low-rank approximation of molecular aggregates Rank-one basis made from matrix-product states for a low-rank approximation of molecular aggregates The Journal of Chemical Physics, 151, 084110 The Journal of Chemical Physics, 151, 084110 The Journal of Chemical Physics, 151, 084110 2019/08 英語 研究論文(学術雑誌) 公開
Yuki Kurashige Yuki Kurashige Yuki Kurashige Matrix product state formulation of the multiconfiguration time-dependent Hartree theory Matrix product state formulation of the multiconfiguration time-dependent Hartree theory Matrix product state formulation of the multiconfiguration time-dependent Hartree theory The Journal of chemical physics, 149, 19, 194114 The Journal of chemical physics, 149, 19, 194114 The Journal of chemical physics, 149, 19, 194114 2018/11 英語 研究論文(学術雑誌) 公開
Ryosuke Y Shimizu, Takeshi Yanai, Yuki Kurashige, Daisuke Yokogawa Ryosuke Y Shimizu, Takeshi Yanai, Yuki Kurashige, Daisuke Yokogawa Ryosuke Y Shimizu, Takeshi Yanai, Yuki Kurashige, Daisuke Yokogawa Electronically Excited Solute Described by RISM Approach Coupled with Multireference Perturbation Theory: Vertical Excitation Energies of Bioimaging Probes Electronically Excited Solute Described by RISM Approach Coupled with Multireference Perturbation Theory: Vertical Excitation Energies of Bioimaging Probes Electronically Excited Solute Described by RISM Approach Coupled with Multireference Perturbation Theory: Vertical Excitation Energies of Bioimaging Probes Journal of Chemical Theory and Computation, 14, 11, 5673-5679 Journal of Chemical Theory and Computation, 14, 11, 5673-5679 Journal of Chemical Theory and Computation, 14, 11, 5673-5679 2018/10 英語 研究論文(学術雑誌) 公開
Masahiro Teramoto, Kosuke Iwata, Hiroshige Yamaura, Kenta Kurashima, Koshi Miyazawa, Yuki Kurashige, Koji Yamamoto, Tetsuro Murahashi Masahiro Teramoto, Kosuke Iwata, Hiroshige Yamaura, Kenta Kurashima, Koshi Miyazawa, Yuki Kurashige, Koji Yamamoto, Tetsuro Murahashi Masahiro Teramoto, Kosuke Iwata, Hiroshige Yamaura, Kenta Kurashima, Koshi Miyazawa, Yuki Kurashige, Koji Yamamoto, Tetsuro Murahashi Three-Dimensional Sandwich Nanocubes Composed of 13-Atom Palladium Core and Hexakis-Carbocycle Shell Three-Dimensional Sandwich Nanocubes Composed of 13-Atom Palladium Core and Hexakis-Carbocycle Shell Three-Dimensional Sandwich Nanocubes Composed of 13-Atom Palladium Core and Hexakis-Carbocycle Shell Journal of the American Chemical Society, 140, 12682-12686 Journal of the American Chemical Society, 140, 12682-12686 Journal of the American Chemical Society, 140, 12682-12686 2018/09 英語 研究論文(学術雑誌) 公開
Midori Akiyama, Yuto Tsuchiya, Ayumi Ishii, Miki Hasegawa, Yuki Kurashige, Kyoko Nozaki Midori Akiyama, Yuto Tsuchiya, Ayumi Ishii, Miki Hasegawa, Yuki Kurashige, Kyoko Nozaki Midori Akiyama, Yuto Tsuchiya, Ayumi Ishii, Miki Hasegawa, Yuki Kurashige, Kyoko Nozaki Phosphorescence Resulting from Interaction between Two Non–equivalent Metals on a Helical π–Conjugated Surface Phosphorescence Resulting from Interaction between Two Non–equivalent Metals on a Helical π–Conjugated Surface Phosphorescence Resulting from Interaction between Two Non-equivalent Metals on a Helical π-Conjugated Surface Chemistry An Asian Journal, 13, 15, 1902-1905 Chemistry An Asian Journal, 13, 15, 1902-1905 Chemistry - An Asian Journal, 13, 15, 1902-1905 2018/08/06 英語 研究論文(学術雑誌) 公開
Fengniu Lu, Naoki Kitamura, Tomohisa Takaya, Koichi Iwata, Takashi Nakanishi, Yuki Kurashige Fengniu Lu, Naoki Kitamura, Tomohisa Takaya, Koichi Iwata, Takashi Nakanishi, Yuki Kurashige Fengniu Lu, Naoki Kitamura, Tomohisa Takaya, Koichi Iwata, Takashi Nakanishi, Yuki Kurashige Experimental and theoretical investigation of fluorescence solvatochromism of dialkoxyphenyl-pyrene molecules Experimental and theoretical investigation of fluorescence solvatochromism of dialkoxyphenyl-pyrene molecules Experimental and theoretical investigation of fluorescence solvatochromism of dialkoxyphenyl-pyrene molecules PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 20, 5, 3258-3264 PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 20, 5, 3258-3264 PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 20, 5, 3258-3264 2018/02 英語 研究論文(学術雑誌) 公開
Takeshi Yanai, Masaaki Saitow, Xiao-Gen Xiong, Jakub Chalupsky, Yuki Kurashige, Sheng Guo, Sandeep Sharma Takeshi Yanai, Masaaki Saitow, Xiao-Gen Xiong, Jakub Chalupsky, Yuki Kurashige, Sheng Guo, Sandeep Sharma Takeshi Yanai, Masaaki Saitow, Xiao-Gen Xiong, Jakub Chalupsky, Yuki Kurashige, Sheng Guo, Sandeep Sharma Multistate Complete-Active-Space Second-Order Perturbation Theory Based on Density Matrix Renormalization Group Reference States Multistate Complete-Active-Space Second-Order Perturbation Theory Based on Density Matrix Renormalization Group Reference States Multistate Complete-Active-Space Second-Order Perturbation Theory Based on Density Matrix Renormalization Group Reference States JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 13, 10, 4829-4840 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 13, 10, 4829-4840 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 13, 10, 4829-4840 2017/10 英語 研究論文(学術雑誌) 公開
Kiyoshi Miyata, Yuki Kurashige, Kazuya Watanabe, Toshiki Sugimoto, Shota Takahashi, Shunsuke Tanaka, Jun Takeya, Takeshi Yanai, Yoshiyasu Matsumoto Kiyoshi Miyata, Yuki Kurashige, Kazuya Watanabe, Toshiki Sugimoto, Shota Takahashi, Shunsuke Tanaka, Jun Takeya, Takeshi Yanai, Yoshiyasu Matsumoto Kiyoshi Miyata, Yuki Kurashige, Kazuya Watanabe, Toshiki Sugimoto, Shota Takahashi, Shunsuke Tanaka, Jun Takeya, Takeshi Yanai, Yoshiyasu Matsumoto Coherent singlet fission activated by symmetry breaking Coherent singlet fission activated by symmetry breaking Coherent singlet fission activated by symmetry breaking Nature Chemistry, 9, 10, 983-989 Nature Chemistry, 9, 10, 983-989 Nature Chemistry, 9, 10, 983-989 2017/10/01 英語 研究論文(学術雑誌) 公開
Takeshi Yanai, Yuki Kurashige, Masaaki Saitow, Jakub Chalupsky, Roland Lindh, Per-Ake Malmqvist Takeshi Yanai, Yuki Kurashige, Masaaki Saitow, Jakub Chalupsky, Roland Lindh, Per-Ake Malmqvist Takeshi Yanai, Yuki Kurashige, Masaaki Saitow, Jakub Chalupsky, Roland Lindh, Per-Ake Malmqvist Influence of the choice of projection manifolds in the CASPT2 implementation Influence of the choice of projection manifolds in the CASPT2 implementation Influence of the choice of projection manifolds in the CASPT2 implementation MOLECULAR PHYSICS, 115, 17-18, 2077-2085 MOLECULAR PHYSICS, 115, 17-18, 2077-2085 MOLECULAR PHYSICS, 115, 17-18, 2077-2085 2017 英語 研究論文(学術雑誌) 公開
Soichi Shirai, Yuki Kurashige, Takeshi Yanai Soichi Shirai, Yuki Kurashige, Takeshi Yanai Soichi Shirai, Yuki Kurashige, Takeshi Yanai Computational Evidence of Inversion of L-1(a) and L-1(b)-Derived Excited States in Naphthalene Excimer Formation from ab Initio Multireference Theory with Large Active Space: DMRG-CASPT2 Study Computational Evidence of Inversion of L-1(a) and L-1(b)-Derived Excited States in Naphthalene Excimer Formation from ab Initio Multireference Theory with Large Active Space: DMRG-CASPT2 Study Computational Evidence of Inversion of L-1(a) and L-1(b)-Derived Excited States in Naphthalene Excimer Formation from ab Initio Multireference Theory with Large Active Space: DMRG-CASPT2 Study JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 12, 5, 2366-2372 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 12, 5, 2366-2372 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 12, 5, 2366-2372 2016/05 英語 研究論文(学術雑誌) 公開
So Kawata, Yong-Jin Pu, Ayaka Saito, Yuki Kurashige, Teruo Beppu, Hiroshi Katagiri, Masaki Hada, Junji Kido So Kawata, Yong-Jin Pu, Ayaka Saito, Yuki Kurashige, Teruo Beppu, Hiroshi Katagiri, Masaki Hada, Junji Kido So Kawata, Yong-Jin Pu, Ayaka Saito, Yuki Kurashige, Teruo Beppu, Hiroshi Katagiri, Masaki Hada, Junji Kido Singlet Fission of Non-polycyclic Aromatic Molecules in Organic Photovoltaics Singlet Fission of Non-polycyclic Aromatic Molecules in Organic Photovoltaics Singlet Fission of Non-polycyclic Aromatic Molecules in Organic Photovoltaics ADVANCED MATERIALS, 28, 8, 1585-1590 ADVANCED MATERIALS, 28, 8, 1585-1590 ADVANCED MATERIALS, 28, 8, 1585-1590 2016/02 英語 研究論文(学術雑誌) 公開
Masaya Okamura, Mio Kondo, Reiko Kuga, Yuki Kurashige, Takeshi Yanai, Shinya Hayami, Vijayendran K. K. Praneeth, Masaki Yoshida, Ko Yoneda, Satoshi Kawata, Shigeyuki Masaoka Masaya Okamura, Mio Kondo, Reiko Kuga, Yuki Kurashige, Takeshi Yanai, Shinya Hayami, Vijayendran K. K. Praneeth, Masaki Yoshida, Ko Yoneda, Satoshi Kawata, Shigeyuki Masaoka Masaya Okamura, Mio Kondo, Reiko Kuga, Yuki Kurashige, Takeshi Yanai, Shinya Hayami, Vijayendran K. K. Praneeth, Masaki Yoshida, Ko Yoneda, Satoshi Kawata, Shigeyuki Masaoka A pentanuclear iron catalyst designed for water oxidation A pentanuclear iron catalyst designed for water oxidation A pentanuclear iron catalyst designed for water oxidation NATURE, 530, 7591, 465-468 NATURE, 530, 7591, 465-468 NATURE, 530, 7591, 465-468 2016/02 英語 研究論文(学術雑誌) 公開
Masai K, Shirato K, Yamamoto K, Kurashige Y, Murahashi T Masai K, Shirato K, Yamamoto K, Kurashige Y, Murahashi T Kohei Masai, Katsunori Shirato, Koji Yamamoto, Yuki Kurashige, Tetsuro Murahashi A mechanistic insight into metal-cluster π-envelopment: a dual binding mode involving bent and planar ligand-conformers. A mechanistic insight into metal-cluster π-envelopment: a dual binding mode involving bent and planar ligand-conformers. A mechanistic insight into metal-cluster pi-envelopment: a dual binding mode involving bent and planar ligand-conformers Chemical communications, 52, 38, 6427-6430 Chemical communications, 52, 38, 6427-6430 CHEMICAL COMMUNICATIONS, 52, 38, 6427-6430 2016 英語 研究論文(学術雑誌) 公開
Masaaki Saitow, Yuki Kurashige, Takeshi Yanai Masaaki Saitow, Yuki Kurashige, Takeshi Yanai Masaaki Saitow, Yuki Kurashige, Takeshi Yanai Fully Internally Contracted Multireference Configuration Interaction Theory Using Density Matrix Renormalization Group: A Reduced-Scaling Implementation Derived by Computer-Aided Tensor Factorization Fully Internally Contracted Multireference Configuration Interaction Theory Using Density Matrix Renormalization Group: A Reduced-Scaling Implementation Derived by Computer-Aided Tensor Factorization Fully Internally Contracted Multireference Configuration Interaction Theory Using Density Matrix Renormalization Group: A Reduced-Scaling Implementation Derived by Computer-Aided Tensor Factorization JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 11, 11, 5120-5131 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 11, 11, 5120-5131 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 11, 11, 5120-5131 2015/11 英語 研究論文(学術雑誌) 公開
Terao J, Ohsawa M, Masai H, Kurashige Y, Fujihara T, Tsuji Y Terao J, Ohsawa M, Masai H, Kurashige Y, Fujihara T, Tsuji Y Jun Terao, Masami Ohsawa, Hiroshi Masai, Yuki Kurashige, Tetsuaki Fujihara, Yasushi Tsuji Synthesis of Molecular Wires Strapped by π-Conjugated Side Chains: Integration of Dehydrobenzo[20]annulene Units. Synthesis of Molecular Wires Strapped by π-Conjugated Side Chains: Integration of Dehydrobenzo[20]annulene Units. Synthesis of Molecular Wires Strapped by pi-Conjugated Side Chains: Integration of Dehydrobenzo[20]annulene Units The Journal of organic chemistry, 80, 17, 8874-8880 The Journal of organic chemistry, 80, 17, 8874-8880 JOURNAL OF ORGANIC CHEMISTRY, 80, 17, 8874-8880 2015/09 英語 研究論文(学術雑誌) 公開
Pengfei Duan, Nobuhiro Yanai, Yuki Kurashige, Nobuo Kimizuka Pengfei Duan, Nobuhiro Yanai, Yuki Kurashige, Nobuo Kimizuka Pengfei Duan, Nobuhiro Yanai, Yuki Kurashige, Nobuo Kimizuka Aggregation-Induced Photon Upconversion through Control of the Triplet Energy Landscapes of the Solution and Solid States Aggregation-Induced Photon Upconversion through Control of the Triplet Energy Landscapes of the Solution and Solid States Aggregation-Induced Photon Upconversion through Control of the Triplet Energy Landscapes of the Solution and Solid States ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 54, 26, 7544-7549 ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 54, 26, 7544-7549 ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 54, 26, 7544-7549 2015/06 英語 研究論文(学術雑誌) 公開
Shinnosuke Horiuchi, Yuki Tachibana, Mitsuki Yamashita, Koji Yamamoto, Kohei Masai, Kohei Takase, Teruo Matsutani, Shiori Kawamata, Yuki Kurashige, Takeshi Yanai, Tetsuro Murahashi Shinnosuke Horiuchi, Yuki Tachibana, Mitsuki Yamashita, Koji Yamamoto, Kohei Masai, Kohei Takase, Teruo Matsutani, Shiori Kawamata, Yuki Kurashige, Takeshi Yanai, Tetsuro Murahashi Shinnosuke Horiuchi, Yuki Tachibana, Mitsuki Yamashita, Koji Yamamoto, Kohei Masai, Kohei Takase, Teruo Matsutani, Shiori Kawamata, Yuki Kurashige, Takeshi Yanai, Tetsuro Murahashi Multinuclear metal-binding ability of a carotene Multinuclear metal-binding ability of a carotene Multinuclear metal-binding ability of a carotene NATURE COMMUNICATIONS, 6, 6742 NATURE COMMUNICATIONS, 6, 6742 NATURE COMMUNICATIONS, 6, 6742 2015/04 英語 研究論文(学術雑誌) 公開
Takeshi Yanai, Yuki Kurashige, Wataru Mizukami, Jakub Chalupsky, Tran Nguyen Lan, Masaaki Saitow Takeshi Yanai, Yuki Kurashige, Wataru Mizukami, Jakub Chalupsky, Tran Nguyen Lan, Masaaki Saitow Takeshi Yanai, Yuki Kurashige, Wataru Mizukami, Jakub Chalupsky, Tran Nguyen Lan, Masaaki Saitow Density Matrix Renormalization Group for ab initio Calculations and Associated Dynamic Correlation Methods: A Review of Theory and Applications Density Matrix Renormalization Group for ab initio Calculations and Associated Dynamic Correlation Methods: A Review of Theory and Applications Density Matrix Renormalization Group for ab initio Calculations and Associated Dynamic Correlation Methods: A Review of Theory and Applications INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 115, 5, 283-299 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 115, 5, 283-299 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 115, 5, 283-299 2015/03 英語 研究論文(学術雑誌) 公開
Yuki Ishikawa, Seita Kimura, Kohei Takase, Koji Yamamoto, Yuki Kurashige, Takeshi Yanai, Tetsuro Murahashi Yuki Ishikawa, Seita Kimura, Kohei Takase, Koji Yamamoto, Yuki Kurashige, Takeshi Yanai, Tetsuro Murahashi Yuki Ishikawa, Seita Kimura, Kohei Takase, Koji Yamamoto, Yuki Kurashige, Takeshi Yanai, Tetsuro Murahashi Modulation of Benzene or Naphthalene Binding to Palladium Cluster Sites by the Backside-Ligand Effect Modulation of Benzene or Naphthalene Binding to Palladium Cluster Sites by the Backside-Ligand Effect Modulation of Benzene or Naphthalene Binding to Palladium Cluster Sites by the Backside-Ligand Effect ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 54, 8, 2482-2486 ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 54, 8, 2482-2486 ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 54, 8, 2482-2486 2015/02 英語 研究論文(学術雑誌) 公開
S. Horiuchi, Y. Tachibana, K. Yamamoto, S. Kawamata, K. Takase, T. Matsutani, K. Masai, Y. Kurashige, T. Yanai, T. Murahashi S. Horiuchi, Y. Tachibana, K. Yamamoto, S. Kawamata, K. Takase, T. Matsutani, K. Masai, Y. Kurashige, T. Yanai, T. Murahashi S. Horiuchi, Y. Tachibana, K. Yamamoto, S. Kawamata, K. Takase, T. Matsutani, K. Masai, Y. Kurashige, T. Yanai, T. Murahashi Remarkable Metal Binding Ability of Carotenes: Decanuclear Homo- and Heterometal Chains Stabilized by β-Carotene Sandwich Remarkable Metal Binding Ability of Carotenes: Decanuclear Homo- and Heterometal Chains Stabilized by β-Carotene Sandwich Remarkable Metal Binding Ability of Carotenes: Decanuclear Homo- and Heterometal Chains Stabilized by β-Carotene Sandwich Nature Comm., 6, 6742 Nature Comm., 6, 6742 Nature Comm., 6, 6742 2015 公開
Tran Nguyen Lan, Yuki Kurashige, Takeshi Yanai Tran Nguyen Lan, Yuki Kurashige, Takeshi Yanai Tran Nguyen Lan, Yuki Kurashige, Takeshi Yanai Scalar Relativistic Calculations of Hyperfine Coupling Constants Using Ab lnitio Density Matrix Renormalization Group Method in Combination with Third-Order Douglas-Kroll-Hess Transformation: Case Studies on 4d Transition Metals Scalar Relativistic Calculations of Hyperfine Coupling Constants Using Ab lnitio Density Matrix Renormalization Group Method in Combination with Third-Order Douglas-Kroll-Hess Transformation: Case Studies on 4d Transition Metals Scalar Relativistic Calculations of Hyperfine Coupling Constants Using Ab lnitio Density Matrix Renormalization Group Method in Combination with Third-Order Douglas-Kroll-Hess Transformation: Case Studies on 4d Transition Metals JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 11, 1, 73-81 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 11, 1, 73-81 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 11, 1, 73-81 2015/01 英語 研究論文(学術雑誌) 公開
Palash Pandit, Koji Yamamoto, Toshikazu Nakamura, Katsuyuki Nishimura, Yuki Kurashige, Takeshi Yanai, Go Nakamura, Shigeyuki Masaoka, Ko Furukawa, Yumi Yakiyama, Masaki Kawano, Shuhei Higashibayashi Palash Pandit, Koji Yamamoto, Toshikazu Nakamura, Katsuyuki Nishimura, Yuki Kurashige, Takeshi Yanai, Go Nakamura, Shigeyuki Masaoka, Ko Furukawa, Yumi Yakiyama, Masaki Kawano, Shuhei Higashibayashi Palash Pandit, Koji Yamamoto, Toshikazu Nakamura, Katsuyuki Nishimura, Yuki Kurashige, Takeshi Yanai, Go Nakamura, Shigeyuki Masaoka, Ko Furukawa, Yumi Yakiyama, Masaki Kawano, Shuhei Higashibayashi Acid/base-regulated reversible electron transfer disproportionation of N-N linked bicarbazole and biacridine derivatives Acid/base-regulated reversible electron transfer disproportionation of N-N linked bicarbazole and biacridine derivatives Acid/base-regulated reversible electron transfer disproportionation of N-N linked bicarbazole and biacridine derivatives CHEMICAL SCIENCE, 6, 7, 4160-4173 CHEMICAL SCIENCE, 6, 7, 4160-4173 CHEMICAL SCIENCE, 6, 7, 4160-4173 2015 英語 研究論文(学術雑誌) 公開
Chalupsky J, Rokob TA, Kurashige Y, Yanai T, Solomon EI, Rulisek L, Srnec M Chalupsky J, Rokob TA, Kurashige Y, Yanai T, Solomon EI, Rulisek L, Srnec M Jakub Chalupsky, Tibor Andras Rokob, Yuki Kurashige, Takeshi Yanai, Edward I. Soomon, Lubomir Rulisek, Martin Srnec Reactivity of the binuclear non-heme iron active site of Δ9 desaturase studied by large-scale multireference ab initio calculations. Reactivity of the binuclear non-heme iron active site of Δ9 desaturase studied by large-scale multireference ab initio calculations. Reactivity of the Binuclear Non-Heme Iron Active Site of Delta(9) Desaturase Studied by Large-Scale Multireference Ab Initio Calculations Journal of the American Chemical Society, 136, 45, 15977-15991 Journal of the American Chemical Society, 136, 45, 15977-15991 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 136, 45, 15977-15991 2014/11 英語 研究論文(学術雑誌) 公開
Yuki Kurashige, Jakub Chalupsky, Tran Nguyen Lan, Takeshi Yanai Yuki Kurashige, Jakub Chalupsky, Tran Nguyen Lan, Takeshi Yanai Yuki Kurashige, Jakub Chalupsky, Tran Nguyen Lan, Takeshi Yanai Complete active space second-order perturbation theory with cumulant approximation for extended active-space wavefunction from density matrix renormalization group Complete active space second-order perturbation theory with cumulant approximation for extended active-space wavefunction from density matrix renormalization group Complete active space second-order perturbation theory with cumulant approximation for extended active-space wavefunction from density matrix renormalization group JOURNAL OF CHEMICAL PHYSICS, 141, 17, 174111 JOURNAL OF CHEMICAL PHYSICS, 141, 17, 174111 JOURNAL OF CHEMICAL PHYSICS, 141, 17, 174111 2014/11 英語 研究論文(学術雑誌) 公開
Kurashige Y, Yanai T Kurashige Y, Yanai T Yuki Kurashige, Takeshi Yanai Theoretical study of the π→π excited states of oligoacenes: a full π-valance DMRG-CASPT2 study Theoretical study of the π→π excited states of oligoacenes: a full π-valance DMRG-CASPT2 study Theoretical Study of the pi -> pi* Excited States of Oligoacenes: A Full pi-Valence DMRG-CASPT2 Study Bulletin of the chemical society of japan, 87, 10, 1071-1073 Bulletin of the chemical society of japan, 87, 10, 1071-1073 BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 87, 10, 1071-1073 2014/10 英語 研究論文(学術雑誌) 公開
Lan TN, Kurashige Y, Yanai T Lan TN, Kurashige Y, Yanai T Tran Nguyen Lan, Yuki Kurashige, Takeshi Yanai Toward Reliable Prediction of Hyperfine Coupling Constants Using Ab Initio Density Matrix Renormalization Group Method: Diatomic (2)Σ and Vinyl Radicals as Test Cases. Toward Reliable Prediction of Hyperfine Coupling Constants Using Ab Initio Density Matrix Renormalization Group Method: Diatomic (2)Σ and Vinyl Radicals as Test Cases. Toward Reliable Prediction of Hyperfine Coupling Constants Using Ab Initio Density Matrix Renormalization Group Method: Diatomic (2)Sigma and Vinyl Radicals as Test Cases Journal of chemical theory and computation, 10, 5, 1953-1967 Journal of chemical theory and computation, 10, 5, 1953-1967 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 10, 5, 1953-1967 2014/05 英語 研究論文(学術雑誌) 公開
Travis V. Harris, Yuki Kurashige, Takeshi Yanai, Keiji Morokuma Travis V. Harris, Yuki Kurashige, Takeshi Yanai, Keiji Morokuma Travis V. Harris, Yuki Kurashige, Takeshi Yanai, Keiji Morokuma Ab initio density matrix renormalization group study of magnetic coupling in dinuclear iron and chromium complexes Ab initio density matrix renormalization group study of magnetic coupling in dinuclear iron and chromium complexes Ab initio density matrix renormalization group study of magnetic coupling in dinuclear iron and chromium complexes JOURNAL OF CHEMICAL PHYSICS, 140, 5, 54303 JOURNAL OF CHEMICAL PHYSICS, 140, 5, 54303 JOURNAL OF CHEMICAL PHYSICS, 140, 5, 54303 2014/02 英語 研究論文(学術雑誌) 公開
Yuki Kurashige Yuki Kurashige Yuki Kurashige Multireference electron correlation methods with density matrix renormalisation group reference functions Multireference electron correlation methods with density matrix renormalisation group reference functions Multireference electron correlation methods with density matrix renormalisation group reference functions MOLECULAR PHYSICS, 112, 11, 1485-1494 MOLECULAR PHYSICS, 112, 11, 1485-1494 MOLECULAR PHYSICS, 112, 11, 1485-1494 2014 英語 研究論文(学術雑誌) 公開
Yuki Kurashige, Masaaki Saitow, Jakub Chalupsky, Takeshi Yanai Yuki Kurashige, Masaaki Saitow, Jakub Chalupsky, Takeshi Yanai Yuki Kurashige, Masaaki Saitow, Jakub Chalupsky, Takeshi Yanai Radical O-O coupling reaction in diferrate-mediated water oxidation studied using multireference wave function theory Radical O-O coupling reaction in diferrate-mediated water oxidation studied using multireference wave function theory Radical O-O coupling reaction in diferrate-mediated water oxidation studied using multireference wave function theory PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 16, 24, 11988-11999 PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 16, 24, 11988-11999 PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 16, 24, 11988-11999 2014 英語 研究論文(学術雑誌) 公開
Fengyi Liu, Yuki Kurashige, Takeshi Yanai, Keiji Morokuma Fengyi Liu, Yuki Kurashige, Takeshi Yanai, Keiji Morokuma Fengyi Liu, Yuki Kurashige, Takeshi Yanai, Keiji Morokuma Multireference Ab Initio Density Matrix Renormalization Group (DMRG)-CASSCF and DMRG-CASPT2 Study on the Photochromic Ring Opening of Spiropyran Multireference Ab Initio Density Matrix Renormalization Group (DMRG)-CASSCF and DMRG-CASPT2 Study on the Photochromic Ring Opening of Spiropyran Multireference Ab Initio Density Matrix Renormalization Group (DMRG)-CASSCF and DMRG-CASPT2 Study on the Photochromic Ring Opening of Spiropyran JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 9, 10, 4462-4469 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 9, 10, 4462-4469 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 9, 10, 4462-4469 2013/10 英語 研究論文(学術雑誌) 公開
Yuki Kurashige, Garnet Kin-Lic Chan, Takeshi Yanai Yuki Kurashige, Garnet Kin-Lic Chan, Takeshi Yanai Yuki Kurashige, Garnet Kin-Lic Chan, Takeshi Yanai Entangled quantum electronic wavefunctions of the Mn4CaO 5 cluster in photosystem II Entangled quantum electronic wavefunctions of the Mn4CaO 5 cluster in photosystem II Entangled quantum electronic wavefunctions of the Mn4CaO 5 cluster in photosystem II Nature Chemistry, 5, 8, 660-666 Nature Chemistry, 5, 8, 660-666 Nature Chemistry, 5, 8, 660-666 2013/08 英語 研究論文(学術雑誌) 公開
Masaaki Saitow, Yuki Kurashige, Takeshi Yanai Masaaki Saitow, Yuki Kurashige, Takeshi Yanai Masaaki Saitow, Yuki Kurashige, Takeshi Yanai Multireference configuration interaction theory using cumulant reconstruction with internal contraction of density matrix renormalization group wave function Multireference configuration interaction theory using cumulant reconstruction with internal contraction of density matrix renormalization group wave function Multireference configuration interaction theory using cumulant reconstruction with internal contraction of density matrix renormalization group wave function JOURNAL OF CHEMICAL PHYSICS, 139, 4, 44118 JOURNAL OF CHEMICAL PHYSICS, 139, 4, 44118 JOURNAL OF CHEMICAL PHYSICS, 139, 4, 44118 2013/07 英語 研究論文(学術雑誌) 公開
Mizukami W, Kurashige Y, Yanai T Mizukami W, Kurashige Y, Yanai T Wataru Mizukami, Yuki Kurashige, Takeshi Yanai More π Electrons Make a Difference: Emergence of Many Radicals on Graphene Nanoribbons Studied by Ab Initio DMRG Theory. More π Electrons Make a Difference: Emergence of Many Radicals on Graphene Nanoribbons Studied by Ab Initio DMRG Theory. More pi Electrons Make a Difference: Emergence of Many Radicals on Graphene Nanoribbons Studied by Ab Initio DMRG Theory Journal of chemical theory and computation, 9, 1, 401-407 Journal of chemical theory and computation, 9, 1, 401-407 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 9, 1, 401-407 2013/01 英語 研究論文(学術雑誌) 公開
Kurashige Y, Yang J, Chan GK, Manby FR Kurashige Y, Yang J, Chan GK, Manby FR Yuki Kurashige, Jun Yang, Garnet K. -L. Chan, Frederick R. Manby Optimization of orbital-specific virtuals in local Møller-Plesset perturbation theory. Optimization of orbital-specific virtuals in local Møller-Plesset perturbation theory. Optimization of orbital-specific virtuals in local Moller-Plesset perturbation theory The Journal of chemical physics, 136, 12, 124106 The Journal of chemical physics, 136, 12, 124106 JOURNAL OF CHEMICAL PHYSICS, 136, 12, 124106 2012/03 英語 研究論文(学術雑誌) 公開
Takeshi Yanai, Yuki Kurashige, Eric Neuscamman, Garnet Kin-Lic Chan Takeshi Yanai, Yuki Kurashige, Eric Neuscamman, Garnet Kin-Lic Chan Takeshi Yanai, Yuki Kurashige, Eric Neuscamman, Garnet Kin-Lic Chan Extended implementation of canonical transformation theory: parallelization and a new level-shifted condition Extended implementation of canonical transformation theory: parallelization and a new level-shifted condition Extended implementation of canonical transformation theory: parallelization and a new level-shifted condition PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 14, 21, 7809-7820 PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 14, 21, 7809-7820 PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 14, 21, 7809-7820 2012 英語 研究論文(学術雑誌) 公開
Yuki Kurashige, Takeshi Yanai Yuki Kurashige, Takeshi Yanai Yuki Kurashige, Takeshi Yanai Second-order perturbation theory with a density matrix renormalization group self-consistent field reference function: Theory and application to the study of chromium dimer Second-order perturbation theory with a density matrix renormalization group self-consistent field reference function: Theory and application to the study of chromium dimer Second-order perturbation theory with a density matrix renormalization group self-consistent field reference function: Theory and application to the study of chromium dimer JOURNAL OF CHEMICAL PHYSICS, 135, 9, 94104 JOURNAL OF CHEMICAL PHYSICS, 135, 9, 94104 JOURNAL OF CHEMICAL PHYSICS, 135, 9, 94104 2011/09 英語 研究論文(学術雑誌) 公開
Yang J, Kurashige Y, Manby FR, Chan GK Yang J, Kurashige Y, Manby FR, Chan GK Jun Yang, Yuki Kurashige, Frederick R. Manby, Garnet K. L. Chan Tensor factorizations of local second-order Møller-Plesset theory. Tensor factorizations of local second-order Møller-Plesset theory. Tensor factorizations of local second-order Moller-Plesset theory The Journal of chemical physics, 134, 4, 44123 The Journal of chemical physics, 134, 4, 44123 JOURNAL OF CHEMICAL PHYSICS, 134, 4, 44123 2011/01 英語 研究論文(学術雑誌) 公開
Wataru Mizukami, Yuki Kurashige, Takeshi Yanai Wataru Mizukami, Yuki Kurashige, Takeshi Yanai Wataru Mizukami, Yuki Kurashige, Takeshi Yanai Communication: Novel quantum states of electron spins in polycarbenes from ab initio density matrix renormalization group calculations Communication: Novel quantum states of electron spins in polycarbenes from ab initio density matrix renormalization group calculations Communication: Novel quantum states of electron spins in polycarbenes from ab initio density matrix renormalization group calculations JOURNAL OF CHEMICAL PHYSICS, 133, 9, 91101 JOURNAL OF CHEMICAL PHYSICS, 133, 9, 91101 JOURNAL OF CHEMICAL PHYSICS, 133, 9, 91101 2010/09 英語 研究論文(学術雑誌) 公開
Yuki Kurashige, Takahito Nakajima, Takeshi Sato, Kimihiko Hirao Yuki Kurashige, Takahito Nakajima, Takeshi Sato, Kimihiko Hirao Yuki Kurashige, Takahito Nakajima, Takeshi Sato, Kimihiko Hirao Efficient evaluation of the Coulomb force in the Gaussian and finite-element Coulomb method Efficient evaluation of the Coulomb force in the Gaussian and finite-element Coulomb method Efficient evaluation of the Coulomb force in the Gaussian and finite-element Coulomb method JOURNAL OF CHEMICAL PHYSICS, 132, 24, 244107 JOURNAL OF CHEMICAL PHYSICS, 132, 24, 244107 JOURNAL OF CHEMICAL PHYSICS, 132, 24, 244107 2010/06 英語 研究論文(学術雑誌) 公開
Takeshi Yanai, Yuki Kurashige, Eric Neuscamman, Garnet Kin-Lic Chan Takeshi Yanai, Yuki Kurashige, Eric Neuscamman, Garnet Kin-Lic Chan Takeshi Yanai, Yuki Kurashige, Eric Neuscamman, Garnet Kin-Lic Chan Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theory Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theory Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theory JOURNAL OF CHEMICAL PHYSICS, 132, 2, 24105 JOURNAL OF CHEMICAL PHYSICS, 132, 2, 24105 JOURNAL OF CHEMICAL PHYSICS, 132, 2, 24105 2010/01 英語 研究論文(学術雑誌) 公開
Mizukami W, Kurashige Y, Ehara M, Yanai T, Itoh T Mizukami W, Kurashige Y, Ehara M, Yanai T, Itoh T Wataru Mizukami, Yuki Kurashige, Masahiro Ehara, Takeshi Yanai, Takao Itoh Ab initio study of the excited singlet states of all-trans α,ω-diphenylpolyenes with one to seven polyene double bonds: Simulation of the spectral data within Franck-Condon approximation. Ab initio study of the excited singlet states of all-trans α,ω-diphenylpolyenes with one to seven polyene double bonds: Simulation of the spectral data within Franck-Condon approximation. Ab initio study of the excited singlet states of all-trans alpha,omega-diphenylpolyenes with one to seven polyene double bonds: Simulation of the spectral data within Franck-Condon approximation The Journal of chemical physics, 131, 17, 174313 The Journal of chemical physics, 131, 17, 174313 JOURNAL OF CHEMICAL PHYSICS, 131, 17, 174313 2009/11 英語 研究論文(学術雑誌) 公開
Takeshi Yanai, Yuki Kurashige, Debashree Ghosh, Garnet Kin-Lic Chan Takeshi Yanai, Yuki Kurashige, Debashree Ghosh, Garnet Kin-Lic Chan Takeshi Yanai, Yuki Kurashige, Debashree Ghosh, Garnet Kin-Lic Chan Accelerating Convergence in Iterative Solution for Large-Scale Complete Active Space Self-Consistent-Field Calculations Accelerating Convergence in Iterative Solution for Large-Scale Complete Active Space Self-Consistent-Field Calculations Accelerating Convergence in Iterative Solution for Large-Scale Complete Active Space Self-Consistent-Field Calculations INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 109, 10, 2178-2190 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 109, 10, 2178-2190 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 109, 10, 2178-2190 2009/08 英語 研究論文(学術雑誌) 公開
Yuki Kurashige, Takeshi Yanai Yuki Kurashige, Takeshi Yanai Yuki Kurashige, Takeshi Yanai High-performance ab initio density matrix renormalization group method: Applicability to large-scale multireference problems for metal compounds High-performance ab initio density matrix renormalization group method: Applicability to large-scale multireference problems for metal compounds High-performance ab initio density matrix renormalization group method: Applicability to large-scale multireference problems for metal compounds JOURNAL OF CHEMICAL PHYSICS, 130, 23, 234114 JOURNAL OF CHEMICAL PHYSICS, 130, 23, 234114 JOURNAL OF CHEMICAL PHYSICS, 130, 23, 234114 2009/06 英語 研究論文(学術雑誌) 公開
Mark A. Watson, Yuki Kurashige, Takahito Nakajima, Kimihiko Hirao Mark A. Watson, Yuki Kurashige, Takahito Nakajima, Kimihiko Hirao Mark A. Watson, Yuki Kurashige, Takahito Nakajima, Kimihiko Hirao Linear-scaling multipole-accelerated Gaussian and finite-element Coulomb method Linear-scaling multipole-accelerated Gaussian and finite-element Coulomb method Linear-scaling multipole-accelerated Gaussian and finite-element Coulomb method JOURNAL OF CHEMICAL PHYSICS, 128, 5, 54105 JOURNAL OF CHEMICAL PHYSICS, 128, 5, 54105 JOURNAL OF CHEMICAL PHYSICS, 128, 5, 54105 2008/02 英語 研究論文(学術雑誌) 公開
Yuki Kurashige, Takahito Nakajima, Saki Kurashige, Kimihiko Hirao, Yoshinori Nishikitani Yuki Kurashige, Takahito Nakajima, Saki Kurashige, Kimihiko Hirao, Yoshinori Nishikitani Yuki Kurashige, Takahito Nakajima, Saki Kurashige, Kimihiko Hirao, Yoshinori Nishikitani Theoretical investigation of the excited states of coumarin dyes for dye-sensitized solar cells Theoretical investigation of the excited states of coumarin dyes for dye-sensitized solar cells Theoretical investigation of the excited states of coumarin dyes for dye-sensitized solar cells JOURNAL OF PHYSICAL CHEMISTRY A, 111, 25, 5544-5548 JOURNAL OF PHYSICAL CHEMISTRY A, 111, 25, 5544-5548 JOURNAL OF PHYSICAL CHEMISTRY A, 111, 25, 5544-5548 2007/06 英語 研究論文(学術雑誌) 公開
Yuki Kurashige, Takahito Nakajima, Kimihiko Hirao Yuki Kurashige, Takahito Nakajima, Kimihiko Hirao Yuki Kurashige, Takahito Nakajima, Kimihiko Hirao Gaussian and finite-element Coulomb method for the fast evaluation of Coulomb integrals Gaussian and finite-element Coulomb method for the fast evaluation of Coulomb integrals Gaussian and finite-element Coulomb method for the fast evaluation of Coulomb integrals JOURNAL OF CHEMICAL PHYSICS, 126, 14, 144106 JOURNAL OF CHEMICAL PHYSICS, 126, 14, 144106 JOURNAL OF CHEMICAL PHYSICS, 126, 14, 144106 2007/04 英語 研究論文(学術雑誌) 公開
Y Kurashige, T Nakajima, K Hirao Y Kurashige, T Nakajima, K Hirao Y Kurashige, T Nakajima, K Hirao Adaptive density partitioning technique in the auxiliary plane wave method Adaptive density partitioning technique in the auxiliary plane wave method Adaptive density partitioning technique in the auxiliary plane wave method CHEMICAL PHYSICS LETTERS, 417, 1-3, 241-245 CHEMICAL PHYSICS LETTERS, 417, 1-3, 241-245 CHEMICAL PHYSICS LETTERS, 417, 1-3, 241-245 2006/01 英語 研究論文(学術雑誌) 公開
Kurashige Y, Nakano H, Nakao Y, Hirao K Kurashige Y, Nakano H, Nakao Y, Hirao K Y Kurashige, H Nakano, Y Nakao, K Hirao The π → π* excited states of long linear polyenes studied by the CASCI-MRMP method The π → π* excited states of long linear polyenes studied by the CASCI-MRMP method The pi -> pi* excited states of long linear polyenes studied by the CASCI-MRMP method Chemical physics letters, 400, 4-6, 425-429 Chemical physics letters, 400, 4-6, 425-429 CHEMICAL PHYSICS LETTERS, 400, 4-6, 425-429 2004/12 英語 研究論文(学術雑誌) 公開
Y Kurashige, H Nakano, K Hirao Y Kurashige, H Nakano, K Hirao Y Kurashige, H Nakano, K Hirao The most stable structure of SiC3 studied by multireference perturbation theory with general multiconfiguration self-consistent field reference functions The most stable structure of SiC3 studied by multireference perturbation theory with general multiconfiguration self-consistent field reference functions The most stable structure of SiC3 studied by multireference perturbation theory with general multiconfiguration self-consistent field reference functions JOURNAL OF PHYSICAL CHEMISTRY A, 108, 15, 3064-3067 JOURNAL OF PHYSICAL CHEMISTRY A, 108, 15, 3064-3067 JOURNAL OF PHYSICAL CHEMISTRY A, 108, 15, 3064-3067 2004/04 英語 研究論文(学術雑誌) 公開

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タイトル言語:
Misc
著者 著者(日本語) 著者(英語) タイトル タイトル(日本語) タイトル(英語) 書誌情報等 書誌情報等(日本語) 書誌情報等(英語) 出版年月 査読の有無 記述言語 掲載種別 公開
Takeshi Yanai, Yuki Kurashige Takeshi Yanai, Yuki Kurashige Takeshi Yanai, Yuki Kurashige Entangled quantum electronic wavefunctions of biological systems: Density matrix renormalization group approach Entangled quantum electronic wavefunctions of biological systems: Density matrix renormalization group approach Entangled quantum electronic wavefunctions of biological systems: Density matrix renormalization group approach ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 246 ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 246 ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 246 2013/09 英語 研究発表ペーパー要旨(国際会議) 公開
Yuki Kurashige Yuki Kurashige Yuki Kurashige Density matrix renormalization group algorithm for metal complex chemistry Density matrix renormalization group algorithm for metal complex chemistry Density matrix renormalization group algorithm for metal complex chemistry ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 238 ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 238 ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 238 2009/08 英語 研究発表ペーパー要旨(国際会議) 公開
タイトル言語:
外部資金:競争的資金 (科学研究費補助金)
種別 代表/分担 テーマ(日本語) テーマ(英語) 期間
新学術領域研究(研究領域提案型) 代表 遷移金属錯体の複雑失活過程とスピン対称性変化の理論解析 (平成29年度分) 2017/04/01〜2018/03/31
基盤研究(B) 代表 大規模分子集合系の複合励起状態を対象とする高精度電子相関理論の開発 (2019年度分) 2019/04/01〜2020/03/31
担当科目
講義名(日本語) 講義名(英語) 開講期 学部/研究科 年度
化学数学 Chemical Mathematics 前期 理学部 2017/04〜2018/03
化学課題研究4 Special study course II (Chemistry) 4 通年 理学部 2017/04〜2018/03
理論化学ゼミナールIIA Seminar on Theoretical Chemistry IIA 前期 理学研究科 2017/04〜2018/03
理論化学ゼミナールIIB Seminar on Theoretical Chemistry IIB 後期 理学研究科 2017/04〜2018/03
理論化学ゼミナールIIC Seminar on Theoretical Chemistry IIC 前期 理学研究科 2017/04〜2018/03
理論化学ゼミナールIID Seminar on Theoretical Chemistry IID 後期 理学研究科 2017/04〜2018/03
理論化学演習IIA Advanced Theoretical Chemistry IIA 前期 理学研究科 2017/04〜2018/03
理論化学演習IIB Advanced Theoretical Chemistry IIB 後期 理学研究科 2017/04〜2018/03
理論化学演習IIC Advanced Theoretical Chemistry IIC 前期 理学研究科 2017/04〜2018/03
理論化学演習IID Advanced Theoretical Chemistry IID 後期 理学研究科 2017/04〜2018/03
量子化学I Quantum Chemistry I 後期 理学部 2017/04〜2018/03
化学数学 Chemical Mathematics 前期 理学部 2018/04〜2019/03
化学課題研究4 Special study course II (Chemistry) 4 通年 理学部 2018/04〜2019/03
基礎化学実験 Fundamental Chemical Experiments 後期 全学共通科目 2018/04〜2019/03
理論化学ゼミナールIIA Seminar on Theoretical Chemistry IIA 前期 理学研究科 2018/04〜2019/03
理論化学ゼミナールIIB Seminar on Theoretical Chemistry IIB 後期 理学研究科 2018/04〜2019/03
理論化学ゼミナールIIC Seminar on Theoretical Chemistry IIC 前期 理学研究科 2018/04〜2019/03
理論化学ゼミナールIID Seminar on Theoretical Chemistry IID 後期 理学研究科 2018/04〜2019/03
理論化学演習IIA Advanced Theoretical Chemistry IIA 前期 理学研究科 2018/04〜2019/03
理論化学演習IIB Advanced Theoretical Chemistry IIB 後期 理学研究科 2018/04〜2019/03
理論化学演習IIC Advanced Theoretical Chemistry IIC 前期 理学研究科 2018/04〜2019/03
理論化学演習IID Advanced Theoretical Chemistry IID 後期 理学研究科 2018/04〜2019/03
量子化学I Quantum Chemistry I 後期 理学部 2018/04〜2019/03
化学数学 Chemical Mathematics 前期 理学部 2019/04〜2020/03
化学課題研究4 Special study course II (Chemistry) 4 通年 理学部 2019/04〜2020/03
化学量子論 Advanced Quantum Chemistry 後期 理学研究科 2019/04〜2020/03
理論化学ゼミナールIIA Seminar on Theoretical Chemistry IIA 前期 理学研究科 2019/04〜2020/03
理論化学ゼミナールIIB Seminar on Theoretical Chemistry IIB 後期 理学研究科 2019/04〜2020/03
理論化学ゼミナールIIC Seminar on Theoretical Chemistry IIC 前期 理学研究科 2019/04〜2020/03
理論化学ゼミナールIID Seminar on Theoretical Chemistry IID 後期 理学研究科 2019/04〜2020/03
理論化学演習IIA Advanced Theoretical Chemistry IIA 前期 理学研究科 2019/04〜2020/03
理論化学演習IIB Advanced Theoretical Chemistry IIB 後期 理学研究科 2019/04〜2020/03
理論化学演習IIC Advanced Theoretical Chemistry IIC 前期 理学研究科 2019/04〜2020/03
理論化学演習IID Advanced Theoretical Chemistry IID 後期 理学研究科 2019/04〜2020/03
量子化学I Quantum Chemistry I 後期 理学部 2019/04〜2020/03
化学数学 Chemical Mathematics 前期 理学部 2020/04〜2021/03
化学課題研究4 Special study course II (Chemistry) 4 通年 理学部 2020/04〜2021/03
基礎物理化学(量子論) Basic Physical Chemistry(quantum theory) 前期 全学共通科目 2020/04〜2021/03
理論化学ゼミナールIIA Seminar on Theoretical Chemistry IIA 前期 理学研究科 2020/04〜2021/03
理論化学ゼミナールIIB Seminar on Theoretical Chemistry IIB 後期 理学研究科 2020/04〜2021/03
理論化学ゼミナールIIC Seminar on Theoretical Chemistry IIC 前期 理学研究科 2020/04〜2021/03
理論化学ゼミナールIID Seminar on Theoretical Chemistry IID 後期 理学研究科 2020/04〜2021/03
理論化学演習IIA Advanced Theoretical Chemistry IIA 前期 理学研究科 2020/04〜2021/03
理論化学演習IIB Advanced Theoretical Chemistry IIB 後期 理学研究科 2020/04〜2021/03
理論化学演習IIC Advanced Theoretical Chemistry IIC 前期 理学研究科 2020/04〜2021/03
理論化学演習IID Advanced Theoretical Chemistry IID 後期 理学研究科 2020/04〜2021/03
量子化学I Quantum Chemistry I 後期 理学部 2020/04〜2021/03

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