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Materials Science Division

Midwest Integrated Center for Computational Materials

MICCoM
Launched in 2015, MICCoM develops and disseminates interoperable open source software, data, and validation procedures, enabling the community to predict properties of functional materials.

The Midwest Integrated Center for Computational Materials (MICCoM) is a DOE-BES Computational Materials Science program located at Argonne with collaborators at the University of Chicago, University of Michigan, University of California, Davis, Notre Dame, and Northwestern University. The distinctive features of the center are:

  • Development of interoperable codes for simulation of materials at multiple length and time scales
  • Focus on heterogeneous materials, inclusive of defects, interfaces and building blocks assembled out of equilibrium
  • Focus on spectroscopic and transport properties

MICCoM - headquartered at Argonne National Laboratory - develops and disseminates interoperable open source softwaredataand validation procedures, enabling the community to simulate and predict properties of functional materials for energy conversion processes. Emphasis is on interfaces, the transport across them, and the manipulation of matter under conditions far from equilibrium.

From software infrastructure …

The Center distributes and maintains software for quantum, classical, and particle-continuum simulations, aiming at developing a solid computational infrastructure of codes, data and validated procedures.

… to target materials

MICCoM’s materials efforts address assembly of solids of nanoparticles, nanostructured multi-phase assemblages and interfaces between solids and aqueous solutions, with optimized electronic, thermal and ionic transport properties. Controlled experimental synthesis along with materials characterization provide platforms for rigorous assessment of the Center’s software, and for the development of validation procedures at all scales. Data analysis software will be made available to the community.

The Center is funded by DOE-BES.