most citedOptimizing thermoelectric performance of graphene antidot lattices via quantum transport and machine-learning molecular dynamics simulations

1 citations · 2 across the 2 of their papers we have counts for

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2 papers

cond-mat.mes-hall2025★ 1 cited

Optimizing thermoelectric performance of graphene antidot lattices via quantum transport and machine-learning molecular dynamics simulations

Yang Xiao, Yuqi Liu, Zihan Tan Bohan Zhang +5

Thermoelectric materials, which can convert waste heat to electricity or be utilized as solid-state coolers, hold promise for sustainable energy applications. However, optimizing t…

cond-mat.mtrl-sci2024★ 1 cited

Million-atom heat transport simulations of polycrystalline graphene approaching first-principles accuracy enabled by neuroevolution potential on desktop GPUs

Xiaoye Zhou, Yuqi Liu, Benrui Tang +5

First-principles molecular dynamics simulations of heat transport in systems with large-scale structural features are challenging due to their high computational cost. Here, using…