  Soft matter materials and polymers are widely used in the controlled delivery
of drugs. Simulation and modeling provide insight at the atomic scale enabling
a level of control unavailable to experiments. We present a workflow protocol
for modeling, simulating, and analyzing structural and thermodynamic response
properties of poly-lactic-co-glycolic acid (PLGA), a well-studied and FDA
approved material. We concatenate a battery of molecular dynamics,
computational chemistry, highly parallel scripting, and analysis tools for
generating properties of bulk polymers in the condensed phase. We provide the
workflow leading to the glass transition temperature, enthalpy, density,
isobaric heat capacity, thermal expansion coefficient, isothermal
compressibility, bulk modulus, sonic velocity, cohesive energy, and solubility
parameters. Calculated properties agree very well with experiments, when
available. This methodology has been extended to a variety of polymer types and
environments.
