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cond-mat.mes-hall2026
Janus-induced atomic reconstruction amplifies twist-angle modulation of interlayer thermal transport in moiré bilayers
Bin Xu, Rulei Guo, Jie Sun +8
In two-dimensional moiré bilayers, atomic reconstruction, the spontaneous structural relaxation toward energy-minimizing stacking registries in the near-commensurate regime, can st…
cond-mat.mtrl-sci2026
Fast and Accurate Prediction of Lattice Thermal Conductivity via Machine Learning Surrogates
Zeyu Wang, Shuya Yamazaki, Martin Hoffmann Petersen +11
The appearance of generative models has opened vast chemical spaces in the design of functional materials. Although machine learning interatomic potentials (MLIPs) have substantial…