Hashing to detect identical ordering of species in a shared sublattice
Finding very low energy configurations of species on a shared sublattice is unavoidable in some problems governed by ground states of the sublattice, such as voltage curve estimation of battery cathode materials. Calculations of partial occupancy systems, most notably in first-principles calculation...
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| Format: | Article |
| Language: | English |
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Taylor & Francis Group
2024-12-01
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| Series: | Science and Technology of Advanced Materials: Methods |
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| Online Access: | https://www.tandfonline.com/doi/10.1080/27660400.2024.2409626 |
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