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Efficient determination of Born-effective charges, LO-TO splitting, and Raman tensors of solids with a real-space atom-centered deep learning approach.
J Phys Condens Matter. 2024 Jul 25;36(42). doi: 10.1088/1361-648X/ad64a2.
J Phys Condens Matter. 2024.
PMID: 39019077
Ab initiostudy of the processes of nitrogen functionalisation in graphene.
Malenfant-Thuot O, Morinière M, Côté M.
Malenfant-Thuot O, et al.
Nanotechnology. 2024 Jan 11;35(13). doi: 10.1088/1361-6528/ad1840.
Nanotechnology. 2024.
PMID: 38134442
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Large Scale Raman Spectrum Calculations in Defective 2D Materials using Deep Learning.
Malenfant-Thuot O, Shaaban Kabakibo D, Blackburn S, Rousseau B, Cote M.
Malenfant-Thuot O, et al.
J Phys Condens Matter. 2024 Dec 18. doi: 10.1088/1361-648X/ada106. Online ahead of print.
J Phys Condens Matter. 2024.
PMID: 39693768
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