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Inorganic Chemistry

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Materials Science

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Theoretical and Computational Chemistry

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Romain Gaillac

4 results in Authors: Romain Gaillac

Theoretical and Computational Chemistry

Structure of Metal–Organic Framework Glasses by Ab Initio Molecular Dynamics

Romain Gaillac, Pluton Pullumbi, Thomas Bennett, François-Xavier Coudert

Version 1 posted 14 July 2020

564

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Inorganic Chemistry

Pressure Promoted Low-Temperature Melting of Metal-Organic Frameworks

Remo N. Widmer, Giulio I. Lampronti, Simone Anzellini, Romain Gaillac, Stefan Farsang, Chao Zhou, Ana M. Belenguer, Hannah Palmer, Annette K. Kleppe, Michael T. Wharmby, Simon A. T. Redfern, François-Xavier Coudert, Simon G. MacLeod, Thomas Bennett

Version 3 posted 28 June 2018

1,200

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1

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Theoretical and Computational Chemistry

Melting of zeolitic imidazolate frameworks with different topologies: insight from first-principles molecular dynamics

Romain Gaillac, Pluton Pullumbi, François-Xavier Coudert

Version 1 posted 10 January 2018

493

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1

Citations

Theoretical and Computational Chemistry

Speeding Up Discovery of Auxetic Zeolite Frameworks by Machine Learning

Romain Gaillac, Siwar Chibani, François-Xavier Coudert

Version 1 posted 04 February 2020

581

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1

Citations