From the 1 of 33 linked papers with an AI index.
Showing cond-mat.mtrl-sciShow all
2 papers · 1 filter
cond-mat.mtrl-sci2026
A high-dimensional neural network potential for finite-temperature phenomena in NiTi martensite
Petr Jaroš, Petr Sedlák, Petr Šesták +3
We present a high-dimensional neural network potential (HDNNP) for the martensitic phase of the NiTi shape-memory alloy trained to density functional theory (DFT) data. A central a…
cond-mat.mtrl-sci2025
Anisotropic Phonon Dynamics and Directional Transport in Actinide van der Waals Semiconductor USe
Aljoscha Söll, Valentino Jadrisko, Sourav Dey +13
Direction-dependent charge transport and optical responses are characteristic of van der Waals (vdW) materials with strong in-plane anisotropy. While transition-metal trichalcogeni…