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5 results in Keywords: Interatomic potential

Materials Science

High Accuracy Semi-Empirical Quantum Models Based on a Reduced Training Set

Cong Huy Pham, Rebecca Lindsey, Laurence Fried, Nir Goldman

Version 1 posted 12 November 2021

347

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1

Citations

Theoretical and Computational Chemistry

Linear Atomic Cluster Expansion Force Fields for Organic Molecules: beyond RMSE

David Peter Kovacs, Cas van der Oord, Jiri Kucera, Alice Allen, Daniel Cole, Christoph Ortner, Gabor Csanyi

Version 4 posted 12 October 2021

1,785

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Physical Chemistry

Shock-Induced Cooling in Liquid Nitrogen Revisited

Rebecca Lindsey, Sorin Bastea, Sebastien Hamel, Yanjun Lyu, Nir Goldman, Laurence Fried

Version 1 posted 17 January 2023

155

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Materials Chemistry

Gold-Thiolate Nanocluster Dynamics and Intercluster Reactions Enabled by a Machine Learned Interatomic Potential

Caitlin McCandler, Antti Pihlajamäki, Sami Malola, Hannu Häkkinen, Kristin Persson

Version 1 posted 07 March 2024

305

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Theoretical and Computational Chemistry

Hierarchical Transfer Learning: An Agile and Equitable Strategy for Machine-Learning Interatomic Models

Rebecca Lindsey, Awwal Oladipupo, Sorin Bastea, Bradley Steele, I-Feng William Kuo, Nir Goldman

Version 1 posted 22 May 2024

75

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