Multiscale Modeling and Simulations of Biomembranes

Thursday, July 18, 2013 - 11:00am - 11:50am
Keller 3-180
Qiang Du (The Pennsylvania State University)
Multiscale Modeling and Simulations of Biomembranes. Q. Du: 6 lectures, 50min each.

This course will be synchronized with and form an extension of course I (above). The proposed themes will include:

1. Overview of the subject; molecular dynamics simulations; coarse-grained models; specifics of Helfrich's continuum theory for biomembrane bending energy.

2. Phase field calculus and diffuse interface approach for bending elasticity models.

3. Coupling of membranes with external fields; multiscale and adaptive simulations.

The lectures will begin with an overview of the various methods used in the simulations of model biomembranes and lipid bilayer vesicles at different scales. Then, the course will focus on discussing models and simulations at the continuum scales. In particular, the lecturer will discuss the bending elasticity models for the membrane deformation and their formulations in terms of the phase field calculus/diffuse interface approach. Techniques will be introduced on how to incorporate various interesting features such as adhesion, multicomponent phase separation, vesicle fusion, hydrodynamic interactions and thermal fluctuations. In addition, numerical methods will be presented that can
be used to improve the efficiency, reliability and predictability of the numerical simulations.
MSC Code: