Molecular simulation applied to astrobiology There is some research group which use molecular dynamics simulations to study the origin of life according to the hypothesis of abiogenesis?
I'm just beginning to know this subject so I don't know about its applicability in certain problems, but I wonder if molecular simulations plays the main role in any area of astrobiology.
(I'm not so sure about asking this question here instead Astronomy or Space Exploration sites, but sounds like a physics question to me.)
 A: Molecular simulation is certainly used in the field of astrobiology. For example, here's a quote from a NASA technical report specifically on Molecular Simulations in Astrobiology:

We use computer simulations to address the following, questions about
  these proteins: (1) How do small proteins (peptides) organize
  themselves into ordered structures at water-membrane interfaces and
  insert into membranes? (2) How do peptides aggregate to form
  membrane-spannin(y structures (e.g., channels)? (3) By what mechanisms
  do such aggregates perform their functions? The simulations are
  performed using the molecular dynamics (MD) method

However, molecular simulation is greatly limited in the size and time-scales that it can currently access, it is also unable to model chemical processes like bond breaking (unless you introduce ad hoc modifications or couple it with very expensive quantum mechanical methods) and so studies are generally restricted to solving these very specific problems (like studying structures or computing energies) for specific molecules, rather than the broad and vague problem of abiogenesis.
Nevertheless, this PhD thesis seems to be a serious first-attempt in that direction (although I've only skimmed through it so cannot vouch for its quality).
