@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{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{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{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{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, } @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, }