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Inorganic Chemistry

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George R. Darling

3 results in Authors: George R. Darling

Materials Chemistry

Statistically derived proxy potentials accelerate geometry optimisation of crystal structures

Dmytro Antypov, Christopher M. Collins, Andrij Vasylenko, Vladimir Gusev, Michael W. Gaultois, George R. Darling, Matthew S. Dyer, Matthew J. Rosseinsky

Version 1 posted 16 October 2023

183

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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

Reinforcement Learning in Crystal Structure Prediction

Elena Zamaraeva, Christopher M. Collins, Dmytro Antypov, Vladimir V. Gusev, Rahul Savani, Matthew S. Dyer, George R. Darling, Igor Potapov, Matthew J. Rosseinsky, Paul G. Spirakis

Version 1 posted 21 March 2023

610

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1

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