I am not aware of any published work by anyone doing this with FDS, but I believe that FDS has all the physics needed for this:
You can define the geometry of your space
You can assign thermophysical properties for the surfaces for wall heat transfer
You can specify an initial wall temperature distribution (starting with an estimate of the steady-state wall temperature profile will reduce the time to reach steady-state)
You can define the exterior temperature conditions
You can define both surface and volumetric heat sources to represent heat dissipation from equipment and from people
You can define an HVAC system
If you were to run FDS for a long enough period of time given a steady exterior condition you would reach a steady-state.
How best to specify heat sources, what grid size is needed for this applciation, etc. are things you will need to determine as part of your research.