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

被引：264
作者：
Juhas, Pavol [1 ]
Farrow, Christopher L. [2 ]
Yang, Xiaohao [2 ]
Knox, Kevin R. [1 ]
Billinge, Simon J. L. [1 ,2 ]
机构：
[1] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA
[2] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA
来源：
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES | 2015年 / 71卷
基金：
美国国家科学基金会;
关键词：
complex modeling; nanostructure analysis; !text type='Python']Python[!/text] software framework; PAIR DISTRIBUTION FUNCTION; NANOPARTICLES; SCATTERING; NANOSCALE; FRAMEWORK;
D O I：
10.1107/S2053273315014473
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
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).
引用
收藏
页码：562 / 568
页数：7
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