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Deep-Learning Density Functional Theory Hamiltonian in Real Space
1个月前
已完结
NEP89: universal neuroevolution potential for inorganic and organic materials across 89 elements
1个月前
已完结
Active learning molecular dynamics-assisted insights into ultralow thermal conductivity of two-dimensional covalent organic frameworks
1个月前
已完结
Local-environment-guided selection of atomic structures for the development of machine-learning potentials
1个月前
已完结
Matter in ångström-scale two-dimensional confinement
5个月前
已完结
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