Simulation of tetraetherlipids on solid surfaces – an extension of the DPD-model

Recently we developed a new mesoscopic molecular modelling computer simulation method from the Dissipative Particle Dynamics (DPD) method [2] useful for simulations of specific dynamical processes at the microsecond and micrometer scale. This unique technique, called Molecular-Fragment-Dynamics (MFD), can be generally applied to surfactants, polymers, nanoparticles and complex mixtures in materials and life science simulation studies [3]. In MFD the molecule is divided into different regions of molecular fragments. Therefore, the MFD scheme overcomes the limitations of classic atomic scale simulations.