Literature DB >> 26522405

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

Pavol Juhás1, Christopher L Farrow2, Xiaohao Yang2, Kevin R Knox1, Simon J L Billinge1.   

Abstract

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:  Python software framework; complex modeling; nanostructure analysis

Year:  2015        PMID： 26522405     DOI： 10.1107/S2053273315014473

Source DB:  PubMed          Journal:  Acta Crystallogr A Found Adv        ISSN： 2053-2733            Impact factor:   2.290


  28 in total

1.  The rise of the X-ray atomic pair distribution function method: a series of fortunate events.

Authors:  Simon J L Billinge
Journal:  Philos Trans A Math Phys Eng Sci       Date:  2019-06-17       Impact factor: 4.226

2.  sasPDF: pair distribution function analysis of nanoparticle assemblies from small-angle scattering data.

Authors:  Chia-Hao Liu; Eric M Janke; Ruipen Li; Pavol Juhás; Oleg Gang; Dmitri V Talapin; Simon J L Billinge
Journal:  J Appl Crystallogr       Date:  2020-05-13       Impact factor: 3.304

Review 3.  Structural Analysis of Molecular Materials Using the Pair Distribution Function.

Authors:  Maxwell W Terban; Simon J L Billinge
Journal:  Chem Rev       Date:  2021-11-17       Impact factor: 60.622

4.  Halide perovskites as disposable epitaxial templates for the phase-selective synthesis of lead sulfochloride nanocrystals.

Authors:  Stefano Toso; Muhammad Imran; Enrico Mugnaioli; Anna Moliterni; Rocco Caliandro; Nadine J Schrenker; Andrea Pianetti; Juliette Zito; Francesco Zaccaria; Ye Wu; Mauro Gemmi; Cinzia Giannini; Sergio Brovelli; Ivan Infante; Sara Bals; Liberato Manna
Journal:  Nat Commun       Date:  2022-07-08       Impact factor: 17.694

5.  Structure determination of organic compounds by a fit to the pair distribution function from scratch without prior indexing.

Authors:  Carina Schlesinger; Stefan Habermehl; Dragica Prill
Journal:  J Appl Crystallogr       Date:  2021-05-09       Impact factor: 3.304

6.  The chemistry of ZnWO4 nanoparticle formation.

Authors:  Espen D Bøjesen; Kirsten M Ø Jensen; Christoffer Tyrsted; Aref Mamakhel; Henrik L Andersen; Hazel Reardon; Jacques Chevalier; Ann-Christin Dippel; Bo B Iversen
Journal:  Chem Sci       Date:  2016-07-05       Impact factor: 9.825

7.  xINTERPDF: a graphical user interface for analyzing intermolecular pair distribution functions of organic compounds from X-ray total scattering data.

Authors:  Chenyang Shi
Journal:  J Appl Crystallogr       Date:  2018-09-20       Impact factor: 3.304

8.  Spatially Localized Synthesis and Structural Characterization of Platinum Nanocrystals Obtained Using UV Light.

Authors:  Jonathan Quinson; Laura Kacenauskaite; Troels L Christiansen; Tom Vosch; Matthias Arenz; Kirsten M Ø Jensen
Journal:  ACS Omega       Date:  2018-08-31

9.  Ultrastable metallic glasses formed on cold substrates.

Authors:  P Luo; C R Cao; F Zhu; Y M Lv; Y H Liu; P Wen; H Y Bai; G Vaughan; M di Michiel; B Ruta; W H Wang
Journal:  Nat Commun       Date:  2018-04-11       Impact factor: 14.919

10.  Multiscale understanding of tricalcium silicate hydration reactions.

Authors:  Ana Cuesta; Jesus D Zea-Garcia; Diana Londono-Zuluaga; Angeles G De la Torre; Isabel Santacruz; Oriol Vallcorba; Monica Dapiaggi; Susana G Sanfélix; Miguel A G Aranda
Journal:  Sci Rep       Date:  2018-06-04       Impact factor: 4.379
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