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20192026
most citedMolecular dynamics simulations of heat transport using machine-learned potentials: A mini review and tutorial on GPUMD with neuroevolution potentials

104 citations

Showing 2026Show all

5 papers · 1 filter

cond-mat.mtrl-sci2026★ 1 cited

Dopant-modulated lattice softening drives drastic thermal conductivity reduction in β-FeSi2 thermoelectrics

Cuiping Zhang, Qingyong Ren, Yangfan Cui +15

Suppressing lattice thermal conductivity (K_lat) is pivotal for thermoelectric efficiency. While traditional strategies rely heavily on phonon scattering from mass- and size-mismat…

physics.chem-ph2026

An Efficient On-the-Fly Nonadiabatic Coupling Framework Integrated into CP2K

Xiaoke He, Hsiao-Yi Tsai, Ziwei Chai +3

Nonadiabatic molecular dynamics (NAMD) is widely used to describe hot electron relaxation and nonradiative recombination processes, but high computational costs limit its applicati…

physics.optics2026

Substrate-engineered tunable bound states in the continuum and directional radiation in dielectric metasurfaces

Hao Song, Yanming Sun, Jian Li +2

Tunable bound states in the continuum (BICs) in metasurfaces offer powerful opportunities to control light-matter interactions, yet the role of out-of-plane symmetry breaking remai…

quant-ph2026★ 3 cited

Tunable Rotation-Associated Slow-to-Fast Light Conversion via Optomagnonic Coupling

Jingyu Liu, Shirong Lin

Cavity optomechanics has enabled slow-to-fast light conversion, but traditional optomechanic systems suffer from limited tunability due to fixed mechanical frequencies. To address…

nlin.CD2026★ 2 cited

Predicting the onset of period-doubling bifurcations via dominant eigenvalue extracted from autocorrelation

Zhiqin Ma, Chunhua Zeng, Ting Gao +1

Predicting the occurrence of transitions in the qualitative dynamics of many natural systems is crucial, yet it remains a challenging task. Generic early warning signals like varia…