MICCoM - headquartered at Argonne National Laboratory - develops and disseminates interoperable computational tools – open source software, data, simulation methods, and validation procedures – that enable the community to simulate and predict the properties of functional materials for energy conversion and of solid-state materials for quantum information science. 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
  • Focus on advanced spectroscopic characterization techniques and tight integration of computational and experimental results.

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.