Published November 8, 2022 | Version 0.2.0
Software Open

MiMiC: A Framework for Multiscale Modeling in Computational Chemistry

Authors/Creators

  • 1. DTU - Technical University of Denmark
  • 2. Forschungszentrum Jülich
  • 3. University of Ferrara
  • 4. École Polytechnique Fédérale de Lausanne

Description

MiMiC is a framework for the development of multiscale models and for running multiscale simulations related to computational chemistry. The goal is to enable flexible implementations of multiscale models with support for multiple subsystems that each can be described at different resolutions and levels of theory.

For more information please visit https://mimic-project.org/.

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MiMiC-0.2.0.zip

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Additional details

Related works

Is supplement to
Software: https://gitlab.com/MiMiC-projects/MiMiC (URL)

References

  • J. M. H. Olsen, V. Bolnykh, S. Meloni, E. Ippoliti, M. P. Bircher, P. Carloni, U. Rothlisberger, "MiMiC: A Novel Framework for Multiscale Modeling in Computational Chemistry", J. Chem. Theory Comput. 15, 3810–3823 (2019). DOI: 10.1021/acs.jctc.9b00093
  • V. Bolnykh, J. M. H. Olsen, S. Meloni, M. P. Bircher, E. Ippoliti, P. Carloni, U. Rothlisberger, "Extreme Scalability of DFT-Based QM/MM MD Simulations Using MiMiC", J. Chem. Theory Comput. 15, 5601–5613 (2019). DOI: 10.1021/acs.jctc.9b00424