Parallel Fourier Path-Integral Monte Carlo calculations of absolute free energies and chemical equilibria ✩

@inproceedings{Srinivasan2000ParallelFP,
  title={Parallel Fourier Path-Integral Monte Carlo calculations of absolute free energies and chemical equilibria ✩},
  author={J. Srinivasan and Yuri L. Volobuev and Steven L. Mielke and Donald G. Truhlar},
  year={2000}
}
We present a parallel implementation of the Fourier Path Integral Monte Carlo method for calculating the absolute free energies of many-body systems. The implementation adopts the message-passing paradigm for parallelization, with the use of the Message Passing Interface (MPI) libraries. A portable computer program, written using Fortran 90, has been… CONTINUE READING