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Patrick W. V. Butler

3 results in Authors: Patrick W. V. Butler

Theoretical and Computational Chemistry

Machine Learned Potentials by Active Learning from Organic Crystal Structure Prediction Landscapes

Patrick W. V. Butler, Roohollah Hafizi, Graeme Day

Version 1 posted 27 October 2023

654

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1

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Materials Chemistry

Reducing Overprediction of Molecular Crystal Structures via Threshold Clustering

Patrick W. V. Butler, Graeme M. Day

Version 1 posted 22 December 2022

249

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1

Citations

Materials Chemistry

Predictive crystallography at scale: mapping, validating, and learning from 1,000 crystal energy landscapes

Christopher R. Taylor, Patrick W. V. Butler, Graeme Day

Version 1 posted 20 May 2024

357

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