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4 results in Keywords: structure search

Materials Science

Polymorphism mediated by electric fields: A first principles study on organic/inorganic interfaces

Johannes J. Cartus, Andreas Jeindl, Anna Werkovits, Lukas Hörmann, Oliver T. Hofmann

Version 2 posted 17 March 2023

193

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Accelerated Prediction of Atomically Precise Cluster Structures Using On-the-fly Machine Learning

Yunzhe Wang, Shanping Liu, Peter Lile, Sam Norwood, Alberto Hernandez, Sukriti Manna, Tim Mueller

Version 1 posted 20 August 2021

563

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Materials Chemistry

A Database of Low-Energy Atomically Precise Nanoclusters

Sukriti Manna, Alberto Hernandez, Yunzhe Wang, Peter Lile, Shanping Liu, Tim Mueller

Version 1 posted 01 December 2021

1,907

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4

Citations

Theoretical and Computational Chemistry

ArtiSAN: Navigating the complexity of material structures with deep reinforcement learning

Jonas Elsborg, Arghya Bhowmik

Version 1 posted 05 June 2024

235

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