2 papers
cond-mat.mtrl-sci2025
Accelerating point defect photo-emission calculations with machine learning interatomic potentials
Kartikeya Sharma, Antoine Loew, Haiyuan Wang +4
We introduce a computational framework leveraging universal machine learning interatomic potentials (MLIPs) to dramatically accelerate the calculation of photoluminescence (PL) spe…
cond-mat.mtrl-sci2025
Exploring the role of four-phonon scattering in the lattice thermal transport of LaMoN
Manjari Jain, Sanchi Monga, Saswata Bhattacharya
In this work, we systematically investigate the lattice thermal conductivity () of LaMoN in the 2/ and 3 phases using first-principles calculations combined w…