activity
20242026
most citedNEP89: Universal neuroevolution potential for inorganic and organic materials across 89 elements

19 citations · 19 across the 2 of their papers we have counts for

collaborators

9 papers

cond-mat.mtrl-sci202619 cited

NEP89: Universal neuroevolution potential for inorganic and organic materials across 89 elements

Ting Liang, Ke Xu, Eric Lindgren +16

While machine-learned interatomic potentials offer near-quantum-mechanical accuracy for atomistic simulations, many are material-specific or computationally intensive, limiting the…

cond-mat.soft2026

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…

cond-mat.mtrl-sci2025

Device-Scale Atomistic Simulations of Heat Transport in Advanced Field-Effect Transistors

Ke Xu, Gang Wang, Ting Liang +8

Self-heating in next-generation, high-power-density field-effect transistor limits performance and complicates fabrication. Here, we introduce NEP-FET, a machine-learned framework…

physics.comp-ph2025

PYSED: A tool for extracting kinetic-energy-weighted phonon dispersion and lifetime from molecular dynamics simulations

Ting Liang, Wenwu Jiang, Ke Xu +4

Machine learning potential-driven molecular dynamics (MD) simulations have significantly enhanced the predictive accuracy of thermal transport properties across diverse materials.…

physics.comp-ph2025

Accurate Modeling of Interfacial Thermal Transport in van der Waals Heterostructures via Hybrid Machine Learning and Registry-Dependent Potentials

Wenwu Jiang, Hekai Bu, Ting Liang +4

Two-dimensional transition metal dichalcogenides (TMDs) exhibit remarkable thermal anisotropy due to their strong intralayer covalent bonding and weak interlayer van der Waals (vdW…

cond-mat.mtrl-sci2025

Moiré-Driven Interfacial Thermal Transport in Twisted Transition Metal Dichalcogenides

Wenwu Jiang, Ting Liang, Hekai Bu +2

Cross-plane thermal conductivity in homogeneous transition metal dichalcogenides (TMDs) exhibits a strong dependence on twist angle, originating from atomic reconstruction within m…