Speaker
Olle Hellman
(Department of Physics, Chemistry and Biology, Linköping University, Sweden)
Description
We present recent developments using the temperature dependent effective
potential technique (TDEP) to model strongly non-harmonic materials. The
method employs model Hamiltonians that explicitly depend on temperature.
I will present applications pertaining to thermal conductivity,
inelastic neutron spectra and phase stabilities. In addition, we
investigate non-linear electron-phonon coupling and its influence on
phonon spectra, and recent additions to that deal with nuclear quantum
effects and efficient stochastic sampling.
Primary author
Olle Hellman
(Department of Physics, Chemistry and Biology, Linköping University, Sweden)
