@article{CTT100768748,
  author = {Hiroaki Umeda and Yuichi Inadomi and Toshio Watanabe and Toru Yagi and Takayoshi Ishimoto and Tsutomu Ikegami and Hiroto Tadano and Tetsuya Sakurai and Umpei Nagashima},
  title = {Parallel Fock matrix construction with distributed shared memory model for the FMO-MO method},
  journal = {Journal of Computational Chemistry},
  year = 2010,
}

@article{CTT100768749,
  author = {Toshio Watanabe and Yuichi Inadomi and Hiroaki Umeda and Kaori Fukuzawa and Shigenari Tanaka and Tatsuya Nakano and Umpei Nagashima},
  title = {Fragment Molecular Orbital (FMO) and FMO-MO Calculations of DNA: Accuracy Validation of Energy and Interfragment Interaction Energy},
  journal = {Journal of Computational and Theoretical Nanoscience},
  year = 2009,
}

@article{CTT100768751,
  author = {Katsuhiro Tamura and Toshio Watanabe and Takayoshi Ishimoto and Hiroaki Umeda and Yuichi Inadomi and Umpei Nagashima},
  title = {FMO-MO Method as an Initial Guess Generation for SCF Calculation: Case of (−)-Epicatechin Gallate},
  journal = {Bulletin of the Chemical Society of Japan},
  year = 2008,
}

@article{CTT100768752,
  author = {Katsuhiro Tamura and Toshio Watanabe and Takayoshi Ishimoto and Umpei Nagashima},
  title = {Ab Initio MO-MD Simulation Based on the Fragment MO Method. A Case of (−)-Epicatechin Gallate with STO-3G Basis Set},
  journal = {Bulletin of the Chemical Society of Japan},
  year = 2008,
}

@article{CTT100631912,
  author = {渡邊寿雄 and 稲富雄一 and 石元孝佳 and 梅田宏明 and 櫻井鉄也 and 長嶋雲兵},
  title = {大規模分子の分子軌道計算 : Lysozyme とモデルDNA分子の分子軌道},
  journal = {Journal of computer chemistry, Japan},
  year = 2007,
}

@article{CTT100768753,
  author = {Toshio Watanabe and Yuichi Inadomi and Kaori Fukuzawa and Tatsuya Nakano and Shigenari Tanaka and Lennart Nilsson and Umpei Nagashima},
  title = {DNA and Estrogen Receptor Interaction Revealed by Fragment Molecular Orbital Calculations},
  journal = {The Journal of Physical Chemistry B},
  year = 2007,
}

@article{CTT100631916,
  author = {長嶋雲兵 and 渡邊寿雄 and 稲富雄一 and 石元孝佳 and 梅田宏明 and 櫻井鉄也},
  title = {グリッド技術を用いた大規模分子軌道計算プログラムの開発 : - FMO-MO法によるLysozymeの溶媒和と分子軌道 -},
  journal = {日本化学会情報化学部会誌},
  year = 2007,
}

@article{CTT100768754,
  author = {Katsuhiro Tamura and Toshio Watanabe and Takayoshi Ishimoto and Umpei Nagashima},
  title = {Difference in the Potential Energy Surfaces from the Fragment MO Method and Conventional Ab Initio SCF-MO Method. A Case of a Surface for Ring Rotation of (−)-Epicatechin Gallate Using the STO-3G Basis Set},
  journal = {Bulletin of the Chemical Society of Japan},
  year = 2007,
}

@article{CTT100768713,
  author = {Sakurai, T. and Toshio Watanabe},
  title = {A hybrid parallel method for large sparse eigenvalue problems on a grid computing environment using Ninf-G/MPI},
  journal = {Large-Scale Scientific Computing},
  year = 2006,
}

@article{CTT100768755,
  author = {Tsukamoto, K. and Toshio Watanabe and Nagashima, U. and Akiyama, Y.},
  title = {Hartree-Fock and density functional theory calculations for the reaction mechanism of nitric oxide reductase cytochrome P450nor from Fusarium oxysporum},
  journal = {Journal of Molecular Structure-Theochem},
  year = 2005,
}

@article{CTT100631918,
  author = {稲富雄一 and 梅田宏明 and 渡邊寿雄 and 櫻井鉄也 and 長嶋雲兵},
  title = {FMO-MO法における大規模分子軌道計算 : 解くべき固有値問題の特徴(<特集>行列・固有値問題における線形計算アルゴリズムとその応用)},
  journal = {日本応用数理学会論文誌},
  year = 2005,
}

@article{CTT100631919,
  author = {稲富雄一 and 梅田宏明 and 渡邊寿雄 and 櫻井鉄也 and 長嶋雲兵},
  title = {FMO-MO法による大規模分子軌道計算(数値シミュレーション)},
  journal = {情報処理学会論文誌. コンピューティングシステム},
  year = 2005,
}

@article{CTT100768733,
  author = {Watanabe, T. and Toshio Watanabe},
  title = {Calculation of systematic set of bond dissociation enthalpies of polyhalogenated benzenes},
  journal = {Journal of Molecular Structure-Theochem},
  year = 2004,
}

@article{CTT100768738,
  author = {Wang, Z. Y. and Toshio Watanabe},
  title = {Prediction of gas phase thermodynamic function of polychlorinated dibenzo-p-dioxins using DFT},
  journal = {Journal of Molecular Structure-Theochem},
  year = 2004,
}

@article{CTT100768736,
  author = {Watanabe, T. and Toshio Watanabe},
  title = {MC/MO SOC-SCF calculation of parity-violating energy of L-alanine zwitterion in aqueous solution},
  journal = {Journal of Molecular Structure-Theochem},
  year = 2004,
}

@article{CTT100768739,
  author = {Wang, Z. Y. and Toshio Watanabe},
  title = {DFT study of tetrachlorinated dibenzo-p-dioxins},
  journal = {Acta Chimica Sinica},
  year = 2003,
}

@article{CTT100768741,
  author = {Kikuchi, O. and Toshio Watanabe},
  title = {Parity-violating energy of D-glyceraldehyde},
  journal = {Journal of Molecular Structure-Theochem},
  year = 2002,
}

@article{CTT100768742,
  author = {Wang, Z. Y. and Toshio Watanabe},
  title = {Reaction space map representation of the chlorination/dechlorination reactions of polychlorobenzenes},
  journal = {Journal of Chemical Information and Computer Sciences},
  year = 2002,
}

@article{CTT100768740,
  author = {Kitayama, T. and Toshio Watanabe},
  title = {Parity-violating energy for the chirality-producing step in Strecker synthesis Of L-alanine},
  journal = {Journal of Molecular Structure-Theochem},
  year = 2002,
}

@article{CTT100768743,
  author = {Azuki, M. and Toshio Watanabe},
  title = {Ab initio GB study of the acid-catalyzed cis-trans isomerization of methyl yellow and methyl orange in aqueous solution},
  journal = {Journal of Molecular Structure-Theochem},
  year = 2001,
}

@article{CTT100768756,
  author = {Toshio Watanabe and Osamu Kikuchi},
  title = {A new method of determining the nonempirical potential functions-application to an ionic fragmentation reaction of tert-butyl chloride in aqueous solution},
  journal = {Journal of Physical Chemistry A},
  year = 2000,
}

@article{CTT100768745,
  author = {Kikuchi, O. and Toshio Watanabe},
  title = {Ab initio GB study of prebiotic synthesis of purine precursors from aqueous hydrogen cyanide: dimerization reaction of HCN in aqueous solution},
  journal = {Journal of Molecular Structure-Theochem},
  year = 2000,
}

@article{CTT100631913,
  author = {菊池修 and 井戸賀 和美 and 渡邊寿雄 and 佐藤 友介},
  title = {水溶液中でのHCN重合経路に対する量子化学研究},
  journal = {Viva origino},
  year = 1999,
}

@article{CTT100768750,
  author = {Toshio Watanabe and Kazuhiko Hashimoto and Hideto Takase and Osamu Kikuchi},
  title = {Monte Carlo simulation study on the conformation and interaction of the glycine zwitterion in aqueous solution},
  journal = {Theochem-Journal of Molecular Structure},
  year = 1997,
}

@article{CTT100768757,
  author = {Osamu Kikuchi and Toshio Watanabe and Yasushi Ogawa and Hideto Takase and Ohgi Takahashi},
  title = {Ab initio MO and Monte Carlo simulation study on the conformation of L-alanine zwitterion in aqueous solution},
  journal = {Journal of Physical Organic Chemistry},
  year = 1997,
}

@inproceedings{CTT100756801,
  author = {藤田 和宏 and 鶴見慶 and 安良岡由規 and 根本忍 and 梁井善行 and 渡邊寿雄 and 野村 哲弘 and 三浦信一 and 額田彰 and 遠藤敏夫 and 松岡聡},
  title = {新スーパーコンピュータTSUBAME3.0の概要．},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100631911,
  author = {稲富 雄一 and 石元 孝佳 and 梅田 宏明 and 渡邊寿雄 and 櫻井 鉄也 and 立川 仁典 and 長嶋 雲兵},
  title = {大規模分子軌道計算における解くべき固有値問題の特徴},
  booktitle = {計算工学講演会論文集},
  year = 2008,
}

@inproceedings{CTT100768702,
  author = {Umeda, H. and Toshio Watanabe},
  title = {COMP 293-Efficient parallel Fock matrix construction on the Grid},
  booktitle = {Abstracts of Papers of the American Chemical Society},
  year = 2007,
}

@inproceedings{CTT100768697,
  author = {Sakurai, T. and Toshio Watanabe},
  title = {A master-worker type eigensolver for molecular orbital computations},
  booktitle = {Applied Parallel Computing: STATE OF THE ART IN SCIENTIFIC COMPUTING},
  year = 2007,
}

@inproceedings{CTT100768711,
  author = {Nagashima, U. and Toshio Watanabe},
  title = {Molecular orbital of fragment molecular orbital method with Sakurai-Sugiura method on grid computing environment},
  booktitle = {Abstracts of Papers of the American Chemical Society},
  year = 2007,
}

@inproceedings{CTT100768704,
  author = {Watanabe, T. and Toshio Watanabe},
  title = {COMP 303-Interaction analysis between EGF receptor and EGF by fragment molecular orbital calculation},
  booktitle = {Abstracts of Papers of the American Chemical Society},
  year = 2007,
}

@inproceedings{CTT100768699,
  author = {Ishimoto, T. and Toshio Watanabe},
  title = {COMP 273-Analysis of protonic and deuteronic basis functions using Gaussian-type functions},
  booktitle = {Abstracts of Papers of the American Chemical Society},
  year = 2007,
}

@inproceedings{CTT100631908,
  author = {稲富雄一 and 梅田宏明 and 渡邊寿雄},
  title = {FMO-MO 法による大規模分子軌道計算(計算科学の基盤技術とその発展)},
  booktitle = {数理解析研究所講究録},
  year = 2006,
}

@inproceedings{CTT100768719,
  author = {Watanabe, T. and Toshio Watanabe},
  title = {Application of FMO-MO method for large-scale molecule: Fluctuation of solvation},
  booktitle = {Abstracts of Papers of the American Chemical Society},
  year = 2006,
}

@inproceedings{CTT100768715,
  author = {Inadomi, Y. and Toshio Watanabe},
  title = {Accuracy of FMO-MO for Large Scale Molecule},
  booktitle = {Abstracts of Papers of the American Chemical Society},
  year = 2006,
}

@inproceedings{CTT100768717,
  author = {Watanabe, T. and Toshio Watanabe},
  title = {Application of FMO-MO fior Large-Scale Molecule: Effect of solvent molecules},
  booktitle = {Abstracts of Papers of the American Chemical Society},
  year = 2006,
}

@inproceedings{CTT100768721,
  author = {Ishimoto, T. and Toshio Watanabe},
  title = {Development of protonic and deuteronic basis functions using Gaussian-type functions},
  booktitle = {Abstracts of Papers of the American Chemical Society},
  year = 2006,
}

@inproceedings{CTT100768723,
  author = {Umeda, H. and Toshio Watanabe},
  title = {Fock matrix construction using Ninf-G GridRPC programming middleware},
  booktitle = {Abstracts of Papers of the American Chemical Society},
  year = 2006,
}

@inproceedings{CTT100768724,
  author = {Ishimoto, T. and Toshio Watanabe},
  title = {Intramolecular interaction energies during dynamics simulations of oligopeptides by fragment molecular orbital-Hamiltonian algorithm method},
  booktitle = {Abstracts of Papers of the American Chemical Society},
  year = 2006,
}

@inproceedings{CTT100768726,
  author = {Umeda, H. and Toshio Watanabe},
  title = {Parallel Fock matrix construction on the Grid},
  booktitle = {Abstracts of Papers of the American Chemical Society},
  year = 2006,
}

@inproceedings{CTT100768732,
  author = {Inadomi, Y. and Toshio Watanabe},
  title = {Large-scale molecular orbitals based on fragment molecular orbital method solved by projection method},
  booktitle = {Abstracts of Papers of the American Chemical Society},
  year = 2005,
}

@inproceedings{CTT100768727,
  author = {Watanabe, T. and Toshio Watanabe},
  title = {DNA and estrogen receptor interaction revealed by the fragment molecular orbital calculation},
  booktitle = {Abstracts of Papers of the American Chemical Society},
  year = 2005,
}

@inproceedings{CTT100768735,
  author = {Watanabe, T. and Toshio Watanabe},
  title = {DNA and estrogen receptor interaction revealed by the fragment molecular orbital method - Implementation of SCF convergence},
  booktitle = {Nsti Nanotech 2004, Vol 1, Technical Proceedings},
  year = 2004,
}

@inproceedings{CTT100768737,
  author = {Watanabe, T. and Toshio Watanabe},
  title = {Molecular simulation of DNA microarrays - an application of 2D particle mesh Ewald algorithm},
  booktitle = {Nsti Nanotech 2004, Vol 1, Technical Proceedings},
  year = 2004,
}