| 61 |
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In order to simulate large soft condensed systems for long times |
| 62 |
|
within a reasonable amount of computational time, some new |
| 63 |
|
coarse-grained models are presented in this dissertation to describe |
| 64 |
< |
phospholipids and banana-shaped liquid crystals. Although these |
| 64 |
> |
phospholipids and liquid crystals. Although these |
| 65 |
|
models can be described using a small number of physical parameters, |
| 66 |
|
it is not trivial to introduce rigid constraints between different |
| 67 |
|
molecular fragments correctly and efficiently. Working with |
| 69 |
|
of performing simulation on systems with orientational degrees of |
| 70 |
|
freedom in a variety of ensembles. Using this new package, I studied |
| 71 |
|
the structure, dynamics and transport properties of the biological |
| 72 |
< |
membranes as well as the the phase behavior of banana shaped liquid |
| 72 |
> |
membranes as well as the the phase behavior of liquid |
| 73 |
|
crystals. A new Langevin dynamics algorithm for arbitrary rigid |
| 74 |
|
particles is also presented to mimic solvent effects which may |
| 75 |
|
eventually expand the time scale of the simulation. |
