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Updated: Jun 27, 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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博诺博优化器:一个新的工具,用于全球优化小原子集群

Bhrigu Chakraborty1, Ranita Pal2, Dilip Kumar Pratihar3

  • 1Department of Chemistry, Indian Institute of Technology Kharagpur, Kharagpur 721302, India.

The journal of physical chemistry. A
|May 2, 2024
PubMed
概括

我们介绍了Bonobo优化器 (BO),这是一个新的元启发算法,用于在化学系统中找到全球最小能量结构. 这个优化器表现出卓越的效率和稳定性,特别是在原子集群优化方面.

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Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules

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