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Extracting Structural Motifs from Pair Distribution Function Data of Nanostructures using Explainable Machine Learning

Andy S. Anker, Emil T. S. Kjær, Mikkel Juelsholt, Troels Lindahl Christiansen, Susanne Linn Skjærvø, Mads Ry Vogel Jørgensen, Innokenty Kantor, Daniel Risskov Sørensen, Simon J. L. Billinge, Raghavendra Selvan, Kirsten Marie Ørnsbjerg Jensen

Version 1 posted 25 April 2022

316

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Inorganic Chemistry

Working Paper

Mechanistic Insight into the Precursor Chemistry of ZrO2 and HfO2 Nanocrystals; towards Size-Tunable Syntheses

Rohan Pokratath, Dietger Van den Eynden, Susan Rudd Cooper, Jette Katja Mathiesen, Valérie Waser, Mike Devereux, Simon Billinge, Markus Meuwly, Kirsten M. Ø. Jensen, Jonathan De Roo

Version 1 posted 17 December 2021

327

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Materials Chemistry

Working Paper

DeepStruc: Towards structure solution from pair distribution function data using deep generative models

Emil Thyge Skanning Kjær, Andy Sode Anker, Marcus Nørgaard Weng, Simon J. L. Billinge, Raghavendra Selvan, Kirsten Marie Ørnsbjerg Jensen

Version 2 posted 16 August 2022

606

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Materials Science

Working Paper

Characterising the Atomic Structure of Mono-Metallic Nanoparticles from X-Ray Scattering Data Using Conditional Generative Models

Andy Sode Anker, Emil T. S. Kjær, Erik B. Dam, Simon J. L. Billinge, Kirsten M. Ø. Jensen, Raghavendra Selvan

Version 1 posted 17 July 2020

642

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3

Citations

Nanoscience

Working Paper

An amorphous phase precedes crystallization; unraveling the colloidal synthesis of zirconium oxide nanocrystals

Rohan Pokratath, Laurent Lermusiaux, Stefano Checchia, Jikson Pulparayil Mathew, Susan Rudd Cooper, Jette Katja Mathiesen, Guillaume Landaburu, Soham Banarjee, Songsheng Tao, Nico Reichholf, Simon J. L. Billinge, Benjamin Abecassis, Kirsten M. Ø. Jensen, Jonathan De Roo

Version 2 posted 13 February 2023

359

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Materials Science

Working Paper

Local Orthorhombic Phase in Zirconium Oxide Nanocrystals: Insights from X-ray Pair Distribution Function Analysis

Rohan Pokratath, Kumara Cordero-Edwards, Maryame Bina, Simon Billinge, Jonathan De Roo

Version 1 posted 29 March 2024

146

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Chemical Engineering and Industrial Chemistry

Working Paper

A structural underpinning of the lower critical solution temperature (LCST) behavior behind temperature-switchable liquids

Ian Billinge, Gabriel Barbosa, Songsheng Tao, Maxwell Terban, C. Heath Turner, Simon Billinge, Ngai Yin Yip

Version 1 posted 07 February 2024

149

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7 results in Simon Billinge in Authors: Simon Billinge

Extracting Structural Motifs from Pair Distribution Function Data of Nanostructures using Explainable Machine Learning

Mechanistic Insight into the Precursor Chemistry of ZrO2 and HfO2 Nanocrystals; towards Size-Tunable Syntheses

DeepStruc: Towards structure solution from pair distribution function data using deep generative models

Characterising the Atomic Structure of Mono-Metallic Nanoparticles from X-Ray Scattering Data Using Conditional Generative Models

An amorphous phase precedes crystallization; unraveling the colloidal synthesis of zirconium oxide nanocrystals

Local Orthorhombic Phase in Zirconium Oxide Nanocrystals: Insights from X-ray Pair Distribution Function Analysis

A structural underpinning of the lower critical solution temperature (LCST) behavior behind temperature-switchable liquids

7 results in Authors: Simon Billinge