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Metal Oxide Decorated Porous Carbons from Controlled Calcination of a Metal-Organic Framework

Gregory S. Day, Jialuo Li, Elizabeth A. Joseph, Peter Metz, Zachary Perry, Matthew R. Ryder, Katharine Page, Hong-Cai Zhou

Version 1 posted 25 November 2019

476

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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

892

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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

Multivariate Analysis of Disorder in Metal–Organic Frameworks

Adam Sapnik, Irene Bechis, Alice Bumstead, Timothy Johnson, Philip Chater, David Keen, Kim Jelfs, Thomas Bennett

Version 1 posted 18 November 2021

406

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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 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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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

509

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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

595

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Energy

Working Paper

5D Total Scattering Computed Tomography Reveals the Full Reaction Mechanism of a bismuth vanadate lithium ion battery anode

Jonas Sottmann, Amund Ruud, Øystein Fjellvåg, Gavin Vaughan, Helmer Fjellvåg, Oleg Lebedev, Marco Di Michiel, Pooniah Vajeeston, David Wragg

Version 2 posted 24 June 2022

221

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Physical Chemistry

Working Paper

Revealing the complex structure of molten FLiBe (2LiF−BeF2) by experimental x-ray scattering, neutron scattering, and deep neural network-based molecular dynamics

Sean Fayfar, Rajni Chahal, Haley Williams, D. Nathanael Gardner, Guiqiu Zheng, David Sprouster, Joerg Neuefeind, Dan Olds, Andrea Hwang, Joanna Mcfarlane, Ryan C. Gallagher, Mark Asta, Stephen Lam, Raluca O. Scarlat, Boris Khaykovich

Version 1 posted 13 July 2023

347

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22 results in Pair distribution function in Keywords: Pair distribution function

Metal Oxide Decorated Porous Carbons from Controlled Calcination of a Metal-Organic Framework

DFT Accurate Interatomic Potential for Molten NaCl from Machine Learning

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

Multivariate Analysis of Disorder in Metal–Organic Frameworks

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

Mixed Hierarchical Local Structure in a Disordered Metal–Organic Framework

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

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

5D Total Scattering Computed Tomography Reveals the Full Reaction Mechanism of a bismuth vanadate lithium ion battery anode

Revealing the complex structure of molten FLiBe (2LiF−BeF2) by experimental x-ray scattering, neutron scattering, and deep neural network-based molecular dynamics

22 results in Keywords: Pair distribution function