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Efficient and Accurate Simulations of Vibrational and Electronic Spectra with Symmetry-Preserving Neural Network Models for Tensorial Properties.

by Independent / Community 0031585d29eaef151d147db6402c2a4812a4d832
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Machine learning has revolutionized the high-dimensional representations for molecular properties such as potential energy. However, there are scarce machine learning models targeting tensorial properties, which are rotationally covariant. Here, we propose tensorial neural network (NN) models to learn both tensorial response and transition properties in which atomic coordinate vectors are multiplied with scalar NN outputs or their derivatives to preserve the rotationally covariant symmetry. T...

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@misc{0031585d29eaef151d147db6402c2a4812a4d832,
  author = {Unknown},
  title = {Efficient and Accurate Simulations of Vibrational and Electronic Spectra with Symmetry-Preserving Neural Network Models for Tensorial Properties. Paper},
  year = {2026},
  howpublished = {\url{https://api.semanticscholar.org/0031585d29eaef151d147db6402c2a4812a4d832}},
  note = {Accessed via Free2AITools.}
}
APA Style
Unknown. (2026). Efficient and Accurate Simulations of Vibrational and Electronic Spectra with Symmetry-Preserving Neural Network Models for Tensorial Properties. [Paper]. Free2AITools. https://api.semanticscholar.org/0031585d29eaef151d147db6402c2a4812a4d832

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Semantic (S) 50

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Authority (A) 85
Popularity (P) 62
Recency (R) 100
Quality (Q) 65

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FNI V2.0 for Efficient and Accurate Simulations of Vibrational and Electronic Spectra with Symmetry-Preserving Neural Network Models for Tensorial Properties.: Authority (A:85), Popularity (P:62), Recency (R:100), Quality (Q:65). Semantic (S) is a query-time baseline scored live at search.

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πŸ“ Executive Summary

"Machine learning has revolutionized the high-dimensional representations for molecular properties such as potential energy. However, there are scarce machine learning models targeting tensorial properties, which are rotationally covariant. Here, we propose tensorial neural network (NN) models to learn both tensorial response and transition properties in which atomic coordinate vectors are multiplied with scalar NN outputs or their derivatives to preserve the rotationally covariant symmetry. T..."

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@article{Unknown2026Efficient,
  title={Efficient and Accurate Simulations of Vibrational and Electronic Spectra with Symmetry-Preserving Neural Network Models for Tensorial Properties.},
  author={},
  note={Indexed by Free2AITools},
  year={2026}
}

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πŸ“ˆ72CitationsSemantic Scholar
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