Computer modeling of lipid bilayer membranes, mainly by Molecular Dynamics (MD), has for a long time been an important complement to experimental methods, and a tool for testing theoretical concepts. As computer hardware and software improves, the time scales and spatial scales that are accessible to simulations grow, constantly leading to new insights and refinement of models.
In my talk I will briefly describe the MD method, with focus on its application on lipid bilayers. I will present two examples from my own research projects. The first concerns calculation of the free energy of trans-membrane pore formation, and the second treats lateral self-diffusion of lipids.