5.1 Development of molecular simulation tools for electronic chemical cell dynamics in microfluidic systems

Using the extended DPD (dissipative particle dynamics) framework developed by BioMIP and SDU, the self-assembly directed phase transitions from micelles to vesicles and gels of scpDNA can be simulated in the presence of electric field induced concentration gradients and (electro)chemical reactions. Care must be taken to treat electrostatic interactions appropriately. These simulations will provide low level detailed modelling of the collective effects which are to be exploited in ECCell.