-
correlations. This study will be conducted in collaboration with specialists in microscopy, RX and optical methods, and modeling (DFT/molecular dynamics). - Modeling the NMR parameters of selected lithium
-
‑chemical calculations on organic small molecules and π‑conjugated systems. • Conduct periodic DFT simulations to explore electronic band structures and transport. • Analyse charge transport, thermoelectric
Searches related to dft
Enter an email to receive alerts for dft positions