PIMD is an open-source software for parallel molecular simulations, originally developed by Dr. Motoyuki Shiga, Principal Researcher at the Japan Atomic Energy Agency. This program, which is based on MPI Fortran 90, can be downloaded and used by anyone free of charge under the Apache 2.0 License.


The main contents of PIMD is as follows.

Simulation methods

Statistical ensembles

Boundary conditions


Literature references of the PIMD code:

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