- Molda
- 分子モデリングソフトMoldaの公式サイト。ダウンロードや使用法の解説。http://www.molda.org/
- Winmostar:分子計算支援システム
- モデリングから分子軌道計算、計算結果の表示までを実現するソフトウェアの紹介。http://winmostar.com/
- pc-chem.info
- フリーの各種Windowsプログラムの解説や、それらを用いた計算機実験の実例紹介。http://pc-chem.info/
- プラズマとイオン性物質の理工学
- 分子動力学を用いたイオン性ソフトマターとプラズマに関する研究の紹介。PCクラスタ計算機の解説や論文リスト。http://dphysique.nifs.ac.jp/
- 分子モデリング研究所
- Web上で公開されているフリーソフトウェアやデータベースを利用したタンパク質の構造解析。http://www.h6.dion.ne.jp/~k-sugino/
- 広島大学大学院理学研究科化学専攻量子化学研究室
- 生体系、ナノサイエンスにおける特異性の予測や分子設計・反応性予測。研究内容や研究室メンバー。http://home.hiroshima-u.ac.jp/aidagr/
- 情報計算化学生物学会
- 概要、関心領域や年次大会案内。求人・求職や創薬関連情報。http://www.cbi.or.jp/
- 日本コンピュータ化学会
- 概要、入会案内やソフトのダウンロード。刊行物や年会の情報。http://www.sccj.net/
- 東北大学工学部応用化学専攻宮本研究室
- 計算化学を用いた各種材料設計の研究紹介。論文や開発ソフトウェアの情報。http://www.aki.che.tohoku.ac.jp/
- 計算化学入門
- ヒュッケル分子軌道法の解説やWinMostarを用いた計算実験例の紹介。http://www3.u-toyama.ac.jp/kihara/cc/
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