2 papers
cond-mat.mtrl-sci2025
Efficient GPU Parallelization of Electronic Transport and Nonequilibrium Dynamics from Electron-Phonon Interactions in the Perturbo Code
Shiyu Peng, Donnie Pinkston, Jia Yao +3
The Boltzmann transport equation (BTE) with electron-phonon (e-ph) interactions computed from first principles is widely used to study electronic transport and nonequilibrium dynam…
cond-mat.mtrl-sci2025
Tensor Learning and Compression of N-phonon Interactions
Yao Luo, Dhruv Mangtani, Shiyu Peng +3
Phonon interactions from lattice anharmonicity govern thermal properties and heat transport in materials. These interactions are described by n-th order interatomic force constants…