EXAFS Thermometry via Digital Twins from Machine Learning Interatomic Potentials
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Experimental and fitted EXAFS spectra and their envelops at several experimental temperatures for the Ni and Zn K-edges in NiO and ZnO, respectively. Fitted EXAFS spectra were calculated using the MD-EXAFS approach based on fine-tuned universal machine learning interatomic potentials CHGNet.
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Zenodo创建时间：
2026-04-26
