41 citations · 71 across the 4 of their papers we have counts for
4 papers
Structurally Triggered Breakdown of the Phonon Gas Model in Crystalline Metal-Organic Frameworks
Penghua Ying, Ting Liang, Yun Chen +5
While crystalline materials with glass-like thermal conductivity are fundamentally intriguing, structurally triggering the transition from propagating to diffusive heat transport w…
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…
Insight into the effect of force error on the thermal conductivity from machine-learned potentials
Wenjiang Zhou, Nianjie Liang, Xiguang Wu +3
Machine-learned potentials (MLPs) have been extensively used to obtain the lattice thermal conductivity via atomistic simulations. However, the impact of force errors in various ML…
Correcting force error-induced underestimation of lattice thermal conductivity in machine learning molecular dynamics
Xiguang Wu, Wenjiang Zhou, Haikuang Dong +5
Machine learned potentials (MLPs) have been widely employed in molecular dynamics (MD) simulations to study thermal transport. However, literature results indicate that MLPs genera…