output
20032026
most citedNeuroevolution machine learning potentials: Combining high accuracy and low cost in atomistic simulations and application to heat transport

526 citations

141 papers

cond-mat.mes-hall2026

Mode-Resolved Multiband Ballistic Transport and Conductance Thresholds in Bilayer Graphene Junctions

Dan-Na Liu, Jun Zheng, Pierre A. Pantaleon

We study ballistic transport in bilayer graphene junctions and show how electrostatic gating, interlayer bias, and homogeneous strain provide complementary control over electron tr…

cond-mat.mtrl-sci2026★ 1 cited

Benchmarking Chemically Scalable Machine-Learning Interatomic Potentials for Large-Scale Simulations of Multicomponent Alloys

Fei Shuang, Penghua Ying, Kai Liu +5

Machine learning interatomic potentials (MLIPs) with broad chemical flexibility are essential for atomistic simulations of compositionally complex alloys, but their deployment in l…

hep-ph2026

Interpretation of as a molecular state

Xiang Yu, Jin-Peng Zhang, Xu-Liang Chen +3

We investigate the mass and strong decay properties of the resonance using QCD sum rules, assuming it to be an S-wave molecular pentaquark state with $I(…

cond-mat.mes-hall2026★ 1 cited

Mode-selective cloaking and phase-matching cavity resonances in bilayer graphene transport

Dan-Na Liu, Jun Zheng, Pierre A. Pantaleon

We study ballistic electron transport through electrostatic barriers in AB-stacked bilayer graphene within a full four-band framework. A mode-resolved analysis reveals how propagat…

physics.chem-ph2025★ 1 cited

Thermal conductivities of monolayer graphene oxide from machine learning molecular dynamics simulations

Bohan Zhang, Biyuan Liu, Penghua Ying +6

Graphene oxide (GO) exhibits rich chemical heterogeneity that strongly influences its structural, thermal, and mechanical properties, yet quantitatively linking reduction chemistry…

cond-mat.mtrl-sci2025★ 4 cited

Anisotropic and isotropic elasticity and thermal transport in monolayer C networks from machine-learning molecular dynamics

Qing Li, Haikuan Dong, Penghua Ying +1

Two-dimensional fullerene networks have recently attracted increasing interest due to their diverse bonding topologies and mechanically robust architectures. In this work, we devel…