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Author

T. Rabczuk

2 papers indexed here

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Open access Sep 2026

Machine learning interatomic potential study of grain boundaries thermal conductance and tensile strength in hexagonal boron nitride

Chemical vapor deposition enables the scalable synthesis of large-area two-dimensional (2D) materials, but the resulting grain boundaries (GBs) can strongly influence their thermal and mechanical performance. In this work, we employ machine learning interatomic potentials (MLIPs) to systematically investigate thermal t...

B. Mortazavi, A. Rajabpour, T. Rabczuk et al. · 0 citations
#diffusion models Open access Sep 2026

On-demand inverse design of metamaterials via denoising diffusion probabilistic models

The nonlinear and non-unique relationship between unit-cell topology and bandgap properties motivates the development of complementary data-driven approaches for metamaterial inverse design. This work presents a conditional denoising diffusion probabilistic model (DDPM)-based framework for the on-demand generation of t...

Than V. Tran, S. Nanthakumar, Ya-Bin Jin et al. · 0 citations

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