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Updated: Jun 11, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

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使用贝叶斯脊回归加速对同质电子气体的合集群计算的趋同

Julie Butler1,2, Morten Hjorth-Jensen2,3, Justin G Lietz4

  • 1Department of Biochemistry, Chemistry, and Physics, University of Mount Union, Alliance, Ohio 46601, USA.

The Journal of chemical physics
|October 2, 2024
PubMed
概括

本研究引入了顺序回归推算 (SRE) 以有效预测对同质电子气体的合集群能量. 该SRE方法显著减少计算时间和资源,同时保持准确性.

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Homogeneous Equilibria for Gaseous Reactions
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