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P Marquetand

Showing results (1-10 of 4) with videos related to

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Chemical Science|November 10, 2025
Machine learning spectroscopy to advance computation and analysisJulia Westermayr, P Marquetand
The Journal of Chemical Physics|October 23, 2020
Deep learning for UV absorption spectra with SchNarc: First steps toward transferability in chemical compound spaceJ Westermayr, P Marquetand
The Journal of Chemical Physics|July 23, 2004
Molecular orientation via a dynamically induced pulse-train: wave packet dynamics of NaI in a static electric fieldP Marquetand, A Materny, N E Henriksen, et al.
The Journal of Chemical Physics|July 2, 2018
wACSF-Weighted atom-centered symmetry functions as descriptors in machine learning potentialsM Gastegger, L Schwiedrzik, M Bittermann, et al.
Pageof 1

Showing results (1-10 of 4) with videos related to

Sort By:
Pageof 1
Chemical Science|November 10, 2025
Machine learning spectroscopy to advance computation and analysisJulia Westermayr, P Marquetand
The Journal of Chemical Physics|October 23, 2020
Deep learning for UV absorption spectra with SchNarc: First steps toward transferability in chemical compound spaceJ Westermayr, P Marquetand
The Journal of Chemical Physics|July 23, 2004
Molecular orientation via a dynamically induced pulse-train: wave packet dynamics of NaI in a static electric fieldP Marquetand, A Materny, N E Henriksen, et al.
The Journal of Chemical Physics|July 2, 2018
wACSF-Weighted atom-centered symmetry functions as descriptors in machine learning potentialsM Gastegger, L Schwiedrzik, M Bittermann, et al.
Pageof 1