Construction of ground-state preserving sparse lattice models for predictive materials simulations

Materials simulations: Constructing models guaranteed to preserve the ground states A method has been developed for performing materials simulations without needing to perform manual parameter tuning for the ground-state. First-principles density functional theory calculations are one of the most co...

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Bibliographic Details
Main Authors: Wenxuan Huang, Alexander Urban, Ziqin Rong, Zhiwei Ding, Chuan Luo, Gerbrand Ceder
Format: article
Language:EN
Published: Nature Portfolio 2017
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Online Access:https://doaj.org/article/a470cdea6be541e4a75f87e3869a1d46
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