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Materials Chemistry

Review

Recent advances in stimuli-responsive framework materials: understanding their response and searching for materials with targeted behavior

François-Xavier Coudert

Version 3 posted 01 April 2025

778

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Materials Chemistry

Working Paper

Phase Transformations in MOFs Induced by Adsorbate Exchange

Alexander Neimark, Nicholas Corrente, François-Xavier Coudert

Version 1 posted 19 November 2024

235

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Theoretical and Computational Chemistry

Working Paper

Thermodynamic Exploration of Xenon/krypton Separation Based on a High-Throughput Screening

Emmanuel Ren, François-Xavier Coudert

Version 1 posted 09 March 2021

425

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Materials Science

Working Paper

Effect of Calcium on the Atomic and Electronic Structures of CdSe QDs Embedded Soda-Lime-Silica Glasses

Wenke Li, Xiujian Zhao, François-Xavier Coudert, Chao Liu

Version 2 posted 18 July 2022

248

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Theoretical and Computational Chemistry

Working Paper

Large-scale characterization of chemical bonding and topology in the Materials Project database

Lionel Zoubritzky, François-Xavier Coudert

Version 3 posted 18 March 2025

434

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Materials Science

Working Paper

Comment on room temperature colossal superparamagnetic order in aminoferrocene–graphene molecular magnets

Gayathri Athavan, François-Xavier Coudert, Robin Bedford

Version 1 posted 07 February 2024

563

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Materials Science

Working Paper

CoRE MOF DB: a curated experimental metal-organic framework database with machine-learned properties for integrated material-process screening

Guobin Zhao, Logan Brabson, Saumil Chheda, Ju Huang, Haewon Kim, Kunhuan Liu, Kenji Mochida, Thang Pham, Prerna Prerna, Gianmarco Terrones, Sunghyun Yoon, Lionel Zoubritzky, François-Xavier Coudert, Maciej Haranczyk, Heather Kulik, Mohamad Moosavi, David Sholl, Ilja Siepmann, Randall Snurr, Yongchul Chung

Version 2 posted 21 March 2025

2,651

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Theoretical and Computational Chemistry

Working Paper

Molecular Simulation of the Impact of Defects on Electrolyte Intrusion in Zeolites

Ambroise de Izarra, François-Xavier Coudert, Alain Fuchs, Anne Boutin

Version 1 posted 01 November 2023

223

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Theoretical and Computational Chemistry

Working Paper

Prediction of Diffusion Coefficient Through Machine Learning Based on Transition State Theory Descriptors

Emmanuel Ren, François-Xavier Coudert

Version 2 posted 25 March 2024

637

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Theoretical and Computational Chemistry

Review

Challenges and opportunities of molecular simulations for negative gas adsorption

Jack Evans, François-Xavier Coudert

Version 1 posted 15 April 2024

299

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47 results in François-Xavier Coudert in Authors: François-Xavier Coudert

Recent advances in stimuli-responsive framework materials: understanding their response and searching for materials with targeted behavior

Phase Transformations in MOFs Induced by Adsorbate Exchange

Thermodynamic Exploration of Xenon/krypton Separation Based on a High-Throughput Screening

Effect of Calcium on the Atomic and Electronic Structures of CdSe QDs Embedded Soda-Lime-Silica Glasses

Large-scale characterization of chemical bonding and topology in the Materials Project database

Comment on room temperature colossal superparamagnetic order in aminoferrocene–graphene molecular magnets

CoRE MOF DB: a curated experimental metal-organic framework database with machine-learned properties for integrated material-process screening

Molecular Simulation of the Impact of Defects on Electrolyte Intrusion in Zeolites

Prediction of Diffusion Coefficient Through Machine Learning Based on Transition State Theory Descriptors

Challenges and opportunities of molecular simulations for negative gas adsorption

47 results in Authors: François-Xavier Coudert