-
functional theory (DFT) outputs for representative quantum paraelectrics and use these force fields to perform lattice-dynamics simulations with explicit quantum mechanical treatment of the nuclei. Profile A
-
of circularly polarized / chiral phonons in quantum paraelectric materials. Job description The postdoctoral researcher will develop machine-learned force fields trained on density functional theory (DFT) outputs
Searches related to dft simulation
Enter an email to receive alerts for dft-simulation positions