Gaussian approximation potentials for accurate thermal properties of two-dimensional materials

Two-dimensional materials (2DMs) continue to attract a lot of attention, particularly for their extreme flexibility and superior thermal properties. Molecular dynamics simulations are among the most powerful methods for computing these properties, but their reliability depends on the accuracy of int...

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Veröffentlicht in:	Nanoscale 2023-04, Vol.15 (19)
Hauptverfasser:	Kocabaş, Tuğbey, Keçeli, Murat, Vázquez-Mayagoitia, Álvaro, Sevik, Cem
Format:	Artikel
Sprache:	eng
Schlagworte:	2D Materials Gaussian Approximation Graphene Machine Learning MATERIALS SCIENCE Potentials Thermoelectric Properties Two-dimensional Materials
Online-Zugang:	Volltext
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