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 the 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.

_images/mimic.png

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. Follow the introductory tutorial

  5. Get help

Current releases:

  • MiMiC Library v0.2.0

  • MiMiC Communication Library v2.0.2

  • MiMiCPy v0.2.0

_images/code.png