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Updated: Jul 19, 2026

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
05:51

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method

Published on: July 19, 2019

分子エネルギーのシミュレーション量子計算

Alán Aspuru-Guzik1, Anthony D Dutoi, Peter J Love

  • 1Department of Chemistry, University of California, Berkeley, CA, USA. alan@aspuru.com

Science (New York, N.Y.)
|September 10, 2005
PubMed
まとめ

量子アルゴリズムは,分子エネルギー計算のための多項式スケーリングを提供し,古典的な方法の性能を大幅に上回ります. この研究は,ごく少数の量子ビットを用いて,化学的な問題へのそれらの応用を示しています.

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