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Updated: Jul 20, 2026

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限られた電子温度を用いて,希少な反応現象を加速する

Joost VandeVondele1, Ursula Rothlisberger

  • 1Laboratory of Inorganic Chemistry, ETH Zurich, 8093 Switzerland.

Journal of the American Chemical Society
|July 4, 2002
PubMed
まとめ

この研究では,シミュレーションにおける希少な化学反応を加速するための新しい計算方法が紹介されています. 有限の電子温度を適用することで,研究者はこれらのイベントの観測を大幅に加速し,分子動力学シミュレーションの範囲を拡大することができます.

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