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Mapping nanocrystalline disorder within an amorphous metal–organic framework

Adam Sapnik, Chao Sun, Joonatan Laulainen, Duncan Johnstone, Rik Brydson, Timothy Johnson, Paul Midgley, Thomas Bennett, Sean Collins

Version 1 posted 30 November 2022

410

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1

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Physical Chemistry

Working Paper

A Composition-Transferable Machine Learning Potential for LiCl-KCl Molten Salts Validated by HEXRD

Jicheng Guo, Logan Ward, Yadu Babuji, Nathaniel Hoyt, Mark Williamson, Ian Foster, Nicholas Jackson, Chris Benmore, ganesh sivaraman

Version 1 posted 04 February 2022

596

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Physical Chemistry

Working Paper

Unveiling polyamorphism and polyamorphic interconversions in pharmaceuticals: the peculiar case of hydrochlorothiazide

Inês C. B Martins, Anders S. Larsen, Anders Ø. Madsen, Olivia Aalling Frederiksen, Kirsten M. Ø. Jensen, Henrik S. Jeppesen, Thomas Rades

Version 1 posted 08 June 2023

291

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Materials Chemistry

Working Paper

Interfacial bonding between a crystalline metal-organic framework and an inorganic glass

Celia Castillo, Ashleigh Chester, Ronan P. Cosquer, Adam Sapnik, Lucia Corti, Roman Sajzew, Bruno Poletto Rodrigues, Georgina Robertson, Daniel Irving, Lauren McHugh, Lothar Wondraczek, Frédéric Blanc, David A. Keen, Thomas D Bennett

Version 1 posted 25 April 2023

353

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Physical Chemistry

Working Paper

DFT Accurate Interatomic Potential for Molten NaCl from Machine Learning

Samuel Tovey, Anand Narayanan Krishnamoorthy, ganesh sivaraman, Jicheng Guo, Chris Benmore, Andreas Heuer, Christian Holm

Version 1 posted 22 May 2020

897

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Nanoscience

Working Paper

A simple setup miniaturization with multiple benefits for Green Chemistry in nanoparticle synthesis

Jette Mathiesen, Susan Cooper, Andy Anker, Tiffany Kinnibrugh, Kirsten Jensen, Jonathan Quinson

Version 3 posted 03 January 2022

445

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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

652

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3

Citations

Materials Chemistry

Working Paper

Mixed Hierarchical Local Structure in a Disordered Metal–Organic Framework

Adam Sapnik, Irene Bechis, Sean M. Collins, Duncan Johnstone, Giorgio Divitini, Andrew J Smith, Philip A. Chater, Mathew Addicoat, Tim Johnson, David A. Keen, Kim Jelfs, Thomas Bennett

Version 1 posted 18 December 2020

418

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Physical Chemistry

Working Paper

Structural Characterisation of Amorphous Solid Dispersions via Metropolis Matrix Factorisation of Pair Distribution Function Data

Harry Geddes, Helen Blade, James McCabe, Leslie P. Hughes, Andrew Goodwin

Version 1 posted 21 August 2019

538

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Materials Science

Working Paper

Engineering Porosity Through Defects in a Giant Pore Metal–Organic Framework

Adam Sapnik, Duncan Johnstone, Sean M. Collins, Giorgio Divitini, Alice Bumstead, Christopher Ashling, Philip A. Chater, Tim Johnson, David A. Keen, Thomas Bennett

Version 1 posted 24 August 2020

510

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24 results in Pair distribution function in Keywords: Pair distribution function

Mapping nanocrystalline disorder within an amorphous metal–organic framework

A Composition-Transferable Machine Learning Potential for LiCl-KCl Molten Salts Validated by HEXRD

Unveiling polyamorphism and polyamorphic interconversions in pharmaceuticals: the peculiar case of hydrochlorothiazide

Interfacial bonding between a crystalline metal-organic framework and an inorganic glass

DFT Accurate Interatomic Potential for Molten NaCl from Machine Learning

A simple setup miniaturization with multiple benefits for Green Chemistry in nanoparticle synthesis

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

Mixed Hierarchical Local Structure in a Disordered Metal–Organic Framework

Structural Characterisation of Amorphous Solid Dispersions via Metropolis Matrix Factorisation of Pair Distribution Function Data

Engineering Porosity Through Defects in a Giant Pore Metal–Organic Framework

24 results in Keywords: Pair distribution function