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publications

Scalable Synthesis of Ultrathin Mntextsubscript3Ntextsubscript2 Exhibiting Room-Temperature Antiferromagnetism

Published in Advanced Functional Materials, 2019

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Recommended citation: Xu Xiao, Patrick Urbankowski, Kanit Hantanasirisakul, Yao Yang, Stephen Sasaki, Long Yang, Chi Chen, Hao Wang, Ling Miao, Sarah Tolbert, Simon Billinge, H{\'e}ctor Abru{\~n}a, Steven May, Yury Gogotsi, "Scalable Synthesis of Ultrathin Mntextsubscript3Ntextsubscript2 Exhibiting Room-Temperature Antiferromagnetism." Advanced Functional Materials, 2019.

Two-Dimensional Arrays of Transition Metal Nitride Nanocrystals

Published in Advanced Materials, 2019

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Recommended citation: Xu Xiao, Hao Wang, Weizhai Bao, Patrick Urbankowski, Long Yang, Yao Yang, Kathleen Maleski, Linfan Cui, Simon Billinge, Guoxiu Wang, Yury Gogotsi, "Two-Dimensional Arrays of Transition Metal Nitride Nanocrystals." Advanced Materials, 2019.

Structure-Mining: Screening Structure Models by Automated Fitting to the Atomic Pair Distribution Function over Large Numbers of Models

Published in Acta Crystallographica Section A: Foundations and Advances, 2020

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Recommended citation: L. Yang, P. Juh{\'a}s, M. Terban, M. Tucker, S. Billinge, "Structure-Mining: Screening Structure Models by Automated Fitting to the Atomic Pair Distribution Function over Large Numbers of Models." Acta Crystallographica Section A: Foundations and Advances, 2020.

A Cloud Platform for Atomic Pair Distribution Function Analysis: PDFitc

Published in Acta Crystallographica Section A: Foundations and Advances, 2021

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Recommended citation: Long Yang, Elizabeth Culbertson, Nancy Thomas, Hung Vuong, Emil Kj{\ae}r, Kirsten Jensen, Matthew Tucker, Simon Billinge, "A Cloud Platform for Atomic Pair Distribution Function Analysis: PDFitc." Acta Crystallographica Section A: Foundations and Advances, 2021.

Local Structure Determination Using Total Scattering Data

Published in In the proceedings of Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, 2021

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Recommended citation: Simon Billinge, Sandra Skj{\ae}rv{\o}, Maxwell Terban, Songsheng Tao, Long Yang, Yevgeny Rakita, Benjamin Frandsen, "Local Structure Determination Using Total Scattering Data." In the proceedings of Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, 2021.

nmfMapping: A Cloud-Based Web Application for Non-Negative Matrix Factorization of Powder Diffraction and Pair Distribution Function Datasets

Published in Acta Crystallographica Section A: Foundations and Advances, 2022

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Recommended citation: Z. Thatcher, C.-H. Liu, L. Yang, B. McBride, G. Thinh, A. Wustrow, M. Karlsen, J. Neilson, D. Ravnsb{\ae}k, S. Billinge, "nmfMapping: A Cloud-Based Web Application for Non-Negative Matrix Factorization of Powder Diffraction and Pair Distribution Function Datasets." Acta Crystallographica Section A: Foundations and Advances, 2022.

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teaching

ADvanced DIffraction Environment

Software

ADvanced DIffraction Environment (ADDIE) is a cloud-based comprehensive platform for hosting tools for neutron powder diffraction experimental planning, automatic Bragg and pair distribution function refinement, etc. It also includes useful tools for both diffraction and total scattering experiments, specifically designed for instruments at the Spallation Neutron Source (SNS) and High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory.

REal Space Iterative Reconstruction

Software

REal Space Iterative Reconstruction (RESIRE) is an advanced algorithm for reconstructing a 3D object from a set of 2D projections, i.e., tomography. It iterates between the update of a reconstructed 3D object and the measured projections using a forward and back projection step, resulting in ultrahigh real-space atomic resolution. The source codes are available in the following link.

PDF In The Cloud

Software

PDF In The Cloud (PDFitc) is a cloud-based platform for pair distribution function (PDF) data analysis. PDF analysis is used to study the local atomic and magnetic structure of materials being developed and used in advanced applications such as high energy density batteries, solar fuel conversion, catalysis, electronics, and many other high tech applications.