Welcome to MiMiC

MiMiC is a framework for multiscale modeling in computational chemistry. The aim is to enable flexible and efficient implementations of multiscale simulation methods with support for multiple subsystems through coupling external programs.

The MiMiC framework consists of the MiMiC library and MCL (MiMiC communication library). Additionally, the MiMiCPy package can be used to assist in input preparation. MiMiC-based QM/MM runs efficiently in parallel using a combination of MPI and OpenMP parallelization. It is freely available under the LGPLv3+ license.


MiMiC supports coupling CPMD and GROMACS for extremely scalable QM/MM simulations

Getting started:

  1. Install MiMiC framework

  2. Patch and install CPMD and GROMACS

  3. Install MiMiCPy

  4. Check known issues in MiMiC

  5. Follow the introductory tutorial

  6. Get help and support

  7. Join our discussion group to receive news and updates

Current releases:

  • MiMiC v0.2.0

  • MCL v2.0.2

  • MiMiCPy v0.2.1