Predicting crystal growth via a unified kinetic three-dimensional partition model

Michael W. Anderson (), James T. Gebbie-Rayet, Adam R. Hill, Nani Farida, Martin P. Attfield, Pablo Cubillas, Vladislav A. Blatov, Davide M. Proserpio, Duncan Akporiaye, Bjørnar Arstad and Julian D. Gale
Additional contact information
Michael W. Anderson: Centre for Nanoporous Materials, School of Chemistry, The University of Manchester
James T. Gebbie-Rayet: Centre for Nanoporous Materials, School of Chemistry, The University of Manchester
Adam R. Hill: Centre for Nanoporous Materials, School of Chemistry, The University of Manchester
Nani Farida: Centre for Nanoporous Materials, School of Chemistry, The University of Manchester
Martin P. Attfield: Centre for Nanoporous Materials, School of Chemistry, The University of Manchester
Pablo Cubillas: Centre for Nanoporous Materials, School of Chemistry, The University of Manchester
Vladislav A. Blatov: Samara Center for Theoretical Materials Science (SCTMS), Samara University
Davide M. Proserpio: Samara Center for Theoretical Materials Science (SCTMS), Samara University
Duncan Akporiaye: SINTEF Materials and Chemistry
Bjørnar Arstad: SINTEF Materials and Chemistry
Julian D. Gale: Curtin Institute for Computation, Curtin University

Nature, 2017, vol. 544, issue 7651, 456-459

Abstract: A general simulation approach that can replicate, and in theory predict, the growth of a wide range of crystal types, including porous, molecular and ionic crystals, is demonstrated.

Date: 2017
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DOI: 10.1038/nature21684

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