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Updated: Sep 9, 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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MLIPX:机器学习的原子间潜力探索

Fabian Zills1, Sheena Agarwal2, Tiago Goncalves3

  • 1University of Stuttgart, Institute for Computational Physics, University of Stuttgart, 70569 Stuttgart, Germany, Stuttgart, 70569, GERMANY.

Journal of physics. Condensed matter : an Institute of Physics journal
|August 29, 2025
PubMed
概括

选择正确的机器学习原子间电位 (MLIP) 对于可靠的模拟至关重要. MLIPX生态系统帮助用户选择和评估特定应用的MLIP,确保准确的预测和减少设置开销.

关键词:
其他国家一个MLIP其他:机器学习标签: 图片原子间潜力测试框架

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