Following on the success of the currently running EU-funded QUASINANO project in collaboration with the Heine group in Bremen, two FP7-PEOPLE projects in which SCM participates have been recently approved: PROPAGATE and MoWSeS.
Three European Industrial Doctorate candidates will soon start to work on method development and cutting edge applications, working partially in Amsterdam (SCM, Prof. Visscher), partially in Bremen (Prof. Heine).
Ab Initio Molecular Dynamics (AIMD) methods for ground and excited state dynamics will be implemented so that these techniques may be used for our molecular (ADF) and periodic (BAND) DFT codes as well as for the approximate DFT code DFTB (molecules and periodic systems). These AIMD methods will have many interesting applications in materials science.
Simultaneously, fast excited state QM/MM approaches will be implemented such that interesting problems in light-sensitive proteins can be tackled.
SCM and Bremen are currently in the final stages of selecting the suitable candidates for taking up these EID positions, so we look forward to welcoming new team members shortly.
MoWSeS is a multi-partner ITN to study and develop nanoelectronics based on two-dimensional dichalcogenides. Both experimental and theoretical groups from industry and academia participate in this network.
As an industrial partner, SCM will employ two post-docs to further develop fast Non-Equilibrium Green’s Function methods for charge transport, implement the latest functionals to deal with band gaps in 2D-periodic semi-conductors, and develop 2D TD-DFT methodologies to study optical properties of layered semi-conductors and nano-ribbons.
We hope to welcome the first post-doc to work on charge transfer in 2013.