most citedMolecular dynamics simulations of heat transport using machine-learned potentials: A mini review and tutorial on GPUMD with neuroevolution potentials

104 citations · 221 across the 3 of their papers we have counts for

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cond-mat.mtrl-sci2024★ 104 cited

Molecular dynamics simulations of heat transport using machine-learned potentials: A mini review and tutorial on GPUMD with neuroevolution potentials

Haikuan Dong, Yongbo Shi, Penghua Ying +9

Molecular dynamics (MD) simulations play an important role in understanding and engineering heat transport properties of complex materials. An essential requirement for reliably pr…

cond-mat.mtrl-sci2023★ 54 cited

Mechanisms of temperature-dependent thermal transport in amorphous silica from machine-learning molecular dynamics

Ting Liang, Penghua Ying, Ke Xu +4

Amorphous silica (a-SiO) is a foundational disordered material for which the thermal transport properties are important for various applications. To accurately model the intera…