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量子材料学
Showing the original Japanese · View translation
量子力学の計算と機械学習で、新しい材料を見つけ出す研究室。

AboutAbout the lab
第一原理計算と機械学習で材料をひらく。
量子材料学研究室は、
第一原理計算は、
機械学習や
2025年4月に
Key terms
- 第一原理計算
- 量子力学にもと
づき、 元素と 結晶 構造の 情報だけから 物質の エネルギーや 電子の 状態を 計算する 方法 - 機械学習ポテンシャル
- 第一原理計算の
結果を 機械学習で 学ばせ、 原子どうしの 力を 速く 精度よく 計算できるように した もの - マテリアルズ・インフォマティクス
- 材料の
データを 集めて 解析し、 新しい 材料の 設計や 探索に 役立てる 技術
NewsLab news
若井助教らの
論文が、 The Journal of Chemical Physicsに 掲載 若井助教らの
論文が、 Physical Review Materialsに 掲載 林助教らの
論文が、 Advanced Intelligent Discoveryに 掲載 林助教らの
論文が、 JOURNAL OF THE AMERICAN CERAMIC SOCIETYに 掲載 林助教らの
論文が、 SCIENTIFIC REPORTSに 掲載
ResearchResearch themes
第一原理計算と
*Illustrative image機械学習ポテンシャルの開発
第一原理計算の
*Illustrative image機械学習で結晶の構造を探す
構造の
*Illustrative image高精度な第一原理熱力学計算
温度の
*Illustrative imageマテリアルズ・インフォマティクス
材料の
MembersFaculty
量子材料学研究室の
- Professor世古 敦人
- Assistant Professor林 博之
- Assistant Professor若井 颯音
VoicesStudent voices
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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: “Samsonite crystal structure (model ball and stick)” Ra'ike (Wikipedia) / CC0 (cropped)
- 機械学習ポテンシャルの
開発: “Visual Molecular Dynamics visualization” Toughpkh / Public domain (cropped) - 機械学習で
結晶の 構造を 探す: “Carbon lattice diamond” GYassineMrabetTalk✉ This structure was created with PyMOL. / Public domain (cropped) - 高精度な
第一原理熱力学計算: “Fig 1b of NASA TM X-53445 - PRINCIPAL TYPES OF TITANIUM-ALLOY CONSTITUTION DIAGRAMS Beta Eutectoid” FF Schmidt and RA Wood / Public domain (cropped) - マテリアルズ・インフォマティクス: “Database-systems3” Чоймаа / CC BY-SA 3.0 (cropped)
- Related lab (エネルギー化学): “Lithium Iron Phosphate LiFePO4 Cells 400 Ah Amp Hours 3.25 Volts - 4” Yo-Co-Man / CC BY-SA 4.0 (cropped)
- Related lab (量子エネルギープロセス): “Quantum dots 2” Marc Vidal / CC BY-SA 4.0 (cropped)
- Related lab (物質情報工学): “Statistical Ensembles (Estonian)” Nzjacobmartin / CC BY-SA 4.0 (cropped)
- Related lab (機能構築学): “Large sample AFM VEGA” AAMonitor96 / CC BY-SA 3.0 (cropped)
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