Advancing Nonadiabatic Molecular Dynamics Simulations in Solids with E(3) Equivariant Deep Neural Hamiltonians
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下载链接：
https://figshare.com/articles/dataset/Advancing_Nonadiabatic_Molecular_Dynamics_Simulations_in_Solids_with_E_3_Equivariant_Deep_Neural_Hamiltonians/26629405
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资源简介：
Code and Tutorial. Pretrained models that used in the manuscript. Raw data for the wavefunction plot.
创建时间：
2025-02-28
