463 citations · 571 across the 5 of their papers we have counts for
5 papers
Side-Chain Tuning of Thermal-Expansion Crossover in Metal-Organic Frameworks
Wei Qiu, Penghua Ying
Achieving continuous control over macroscopic thermal expansion remains a fundamental challenge in solid-state physics. Using classical and path-integral molecular dynamics alongsi…
Sub-micrometer phonon mean free paths in metal-organic frameworks revealed by machine-learning molecular dynamics simulations
Penghua Ying, Ting Liang, Ke Xu +4
Metal-organic frameworks (MOFs) are a family of materials that have high porosity and structural tunability and hold great potential in various applications, many of which requirin…
GPUMD: A package for constructing accurate machine-learned potentials and performing highly efficient atomistic simulations
Zheyong Fan, Yanzhou Wang, Penghua Ying +17
We present our latest advancements of machine-learned potentials (MLPs) based on the neuroevolution potential (NEP) framework introduced in [Fan et al., Phys. Rev. B 104, 104309 (2…
Variable thermal transport in black, blue, and violet phosphorene from extensive atomistic simulations with a neuroevolution potential
Penghua Ying, Ting Liang, Ke Xu +6
Phosphorus has diverse chemical bonds and even in its two-dimensional form there are three stable allotropes: black phosphorene (Black-P), blue phosphorene (Blue-P), and violet pho…
Investigation of Deformation and Fracture Mechanisms in Two-dimensional Gallium Telluride Multilayers Using Nanoindentation
Yan Zhou, Shi Zhou, Penghua Ying +12
Two-dimensional (2D) materials possess great potential for flexible devices, ascribing to their outstanding electrical, optical, and mechanical properties. However, their mechanica…