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

526 citations

Showing cond-mat.mes-hallShow all

14 papers · 1 filter

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.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…

cond-mat.mes-hall2023★ 30 cited

Tensorial properties via the neuroevolution potential framework: Fast simulation of infrared and Raman spectra

Nan Xu, Petter Rosander, Christian Schäfer +7

Infrared and Raman spectroscopy are widely used for the characterization of gases, liquids, and solids, as the spectra contain a wealth of information concerning in particular the…

cond-mat.mes-hall2023★ 66 cited

Magic angle in thermal conductivity of twisted bilayer graphene

Yajuan Cheng, Zheyong Fan, Tao Zhang +5

We report a local minimum in thermal conductivity in twisted bilayer graphene (TBG) at the angle of 1.08, which corresponds to the 'magic angle' in the transition of severa…

cond-mat.mes-hall2021★ 41 cited

Ultrahigh convergent thermal conductivity of carbon nanotubes from comprehensive atomistic modeling

Giuseppe Barbalinardo, Zekun Chen, Haikuan Dong +2

Anomalous heat transport in one-dimensional nanostructures, such as nanotubes and nanowires, is a widely debated problem in condensed matter and statistical physics, with contradic…

cond-mat.mes-hall2019★ 17 cited

Phase field crystal model for heterostructures

Petri Hirvonen, Vili Heinonen, Haikuan Dong +3

Atomically thin 2-dimensional heterostructures are a promising, novel class of materials with groundbreaking properties. The possiblity of choosing the many constituent components…