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April M. Cooper,
Johannes Kästner,
Alexander Urban,
Nongnuch Artrith,
Version 0 of Colab Fit Dataset published 2023 via ColabFit
Validation configurations of Li8Mo2Ni7Ti7O32 from HO_LiMoNiTi_NPJCM_2020 used in the training of an ANN, whereby total energy is extrapolated by a Taylor expansion as a means of reducing computational costs.
Citation
Cooper, A. M., Kästner, J., Urban, A., & Nongnuch Artrith. (2023). <i>HO_LiMoNiTi_NPJCM_2020_LiMoNiTi_validation</i> (Version 0) [Data set]. ColabFit. https://doi.org/10.60732/40D9F4E8