Multiscale simulations of excitation dynamics in molecular materials for sustainable energy applications
VOTCA-XTP is a library which allows you to calculate the electronic properties of organic materials
VOTCA is a software package which focuses on the analysis of molecular dynamics data, the development of systematic coarse-graining techniques as well as methods used for simulating microscopic charge (and exciton) transport in disordered semiconductors. Its C++ core is interfaced to bash and perl flow-control scripts. VOTCA-XTP is an extension to CTP. It offers support for the orca DFT package and comes with its own DFT and GWBSE implementations. Furthermore, it extends the CTP charge transport to exciton transport.