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計算情報化学
Showing the original Japanese · View translation
量子化学や分子動力学の計算法を作り、分子の働きを解き明かす研究室。
AboutAbout the lab
理論と計算法を作り、分子の働きを解く。
八木・松井研究室
新しい
主に
研究室の
Key terms
- 量子化学計算
- 分子の
電子の 振る 舞いを 量子力学で 求める 計算。 QM/MM法では 高精度な 計算側を 担う - QM/MM法
- 注目する
部分を 高精度な 量子化学計算で、 溶媒や生体分子などの 環境を 低コストな 古典力場計算で 扱う 方法 - 密度汎関数理論
- 量子化学計算で
広く 使われる 理論。 多くの パラメータの 決め方が 課題に なっている
ResearchResearch themes
この
*Illustrative image複雑な分子の振動を調べる理論
分子の
*Illustrative imageQM/MM分子動力学計算の高速化
QM/MM法を
*Illustrative image分子情報に基づく密度汎関数理論
密度汎関数理論の
*Illustrative image分子のトポロジーに着目した量子輸送理論
分子スケールの
MembersFaculty
八木・松井研究室の
- Professor八木 清
- Associate Professor松井 亨
- Assistant Professor岡澤 一樹
- Project Assistant Professor沖田 和也
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Write a lab reviewAnonymous · Your draft is saved if you stopRelatedLabs similar to 計算情報化学
超分子化学理工学群 化学類超分子化学に
分光物理化学理工学群 化学類非線形分光法に
有機エレクトロニクス化学理工学群 化学類高分子、
無機合成化学理工学群 化学類金属多核錯体のThe information on this page is compiled by the LabLog team from the lab's public information and interviews. For corrections or removal requests, please contact LabLog, not the lab.
Report an errorAbout the images
The top and research theme images are illustrative and were not taken at the lab. They are cropped from Wikimedia Commons images. Cropped CC BY-SA images are provided under the same CC BY-SA license as the original (version shown on each line).
- Top image: “Model molecular àcid salicílic” Joel Gonzàlez / CC BY-SA 4.0 (cropped)
- 複雑な
分子の 振動を 調べる 理論: “1-Undecanol molecular model” RandomKatze / CC0 (cropped) - QM/MM分
子動力学計算の 高速化: “The catalyst high performance computing (HPC)” ENERGY.GOV / Public domain (cropped) - 分子情報に
基づく 密度汎関数理論: “Carbon dioxide molecular orbital” ChiralJon / CC BY 2.0 (cropped) - 分子の
トポロジーに 着目した 量子輸送理論: “Bucked kit” _sarchi / CC BY 2.0 (cropped) - Related lab (超分子化学): “Osmium Host-Guest Assembly” Dslate2123 / CC BY-SA 3.0 (cropped)
- Related lab (分光物理化学): “Silver Target in XPS Spectrometer” MichaelBueker / CC BY-SA 3.0 (cropped)
- Related lab (有機エレクトロニクス化学): “Folding solar on roof 2” Wikideas1 / CC0 (cropped)
- Related lab (無機合成化学): “Pigments in test tubes in UCL Chemistry - London, United Kingdom” UCL Mathematical and Physical Sciences from London, UK / CC BY 2.0 (cropped)
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