Complex modeling: a strategy and software program for combining multiple information sources to solve ill posed structure and nanostructure inverse problems

Juhás, P.; Farrow, C.; Yang, X.; Knox, K.; Billinge, S.

doi:10.1107/S2053273315014473

Complex modeling: a strategy and software program for combining multiple information sources to solve ill posed structure and nanostructure inverse problems

P. Juhás, C. Farrow, X. Yang, K. Knox and S. Billinge

A strategy is described for regularizing ill posed structure and nanostructure scattering inverse problems (i.e. structure solution) from complex material structures. This paper describes both the philosophy and strategy of the approach, and a software implementation, DiffPy Complex Modeling Infrastructure (DiffPy-CMI).

Keywords: complex modeling; nanostructure analysis; Python software framework.

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Complex modeling: a strategy and software program for combining multiple information sources to solve ill posed structure and nanostructure inverse problems

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