collaborators

1 paper

cond-mat.mtrl-sci2012

Non-adiabatic molecular dynamics simulation for carrier transport in a molecular monolayer

Junfeng Ren, Nenad Vukmirovic, Lin-Wang Wang

We present a new approach to carry out non-adiabatic molecular dynamics to study the carrier mobility in an organic monolayer. This approach allows the calculation of a 4802 atom s…