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Crystal structure prediction

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2 results in Keywords: Crystal structure prediction

Materials Chemistry

Integration of generative machine learning with the heuristic crystal structure prediction code FUSE

Christopher M. Collins, Hasan M. Sayeed, George R. Darling, John B. Claridge, Taylor D. Sparks, Matthew J. Rosseinsky

Version 1 posted 20 December 2023

710

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Theoretical and Computational Chemistry

Progressive Alignment of Crystals: Reproducible and Efficient Assessment of Crystal Structure Similarity

Aaron Nessler, Okimasa Okada, Mitchell Hermon, Hiroomi Nagata, Michael Schnieders

Version 1 posted 30 May 2022

201

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