Cluster expansion toward nonlinear modeling and classification
A quantitative first-principles description of complex substitutional materials such as alloys is challenging due to the vast number of configurations and the high computational cost of solving the quantum mechanical problem. Therefore, materials properties must be modeled. The cluster expansion (CE...
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| Main Authors: | Adrian Stroth, Claudia Draxl, Santiago Rigamonti |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2025-07-01
|
| Series: | Physical Review Research |
| Online Access: | http://doi.org/10.1103/68lv-86k6 |
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