Data-analysis software framework 2DMAT and its application to experimental measurements for two-dimensional material structures
نویسندگان
چکیده
An open-source data-analysis framework 2DMAT has been developed for experimental measurements of two-dimensional material structures. offers five analysis methods: (i) Nelder-Mead optimization, (ii) grid search, (iii) Bayesian (iv) replica exchange Monte Carlo method, and (v) population-annealing method. Methods through are implemented by parallel computation,which is efficient not only personal computers but also supercomputers.The current version applicable to total-reflection high-energy positron diffraction (TRHEPD), surface X-ray (SXRD), low-energy electron (LEED) experiments installing corresponding forward problem solvers that generate intensity data from a given dataset the atomic positions. The methods general can be applied other problems.
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ژورنال
عنوان ژورنال: Computer Physics Communications
سال: 2022
ISSN: ['1879-2944', '0010-4655']
DOI: https://doi.org/10.1016/j.cpc.2022.108465