MICCoM - headquartered at Argonne National Laboratory - develops predictive computational tools to design synthetic materials from specific building blocks while incorporating consideration of efficient assembly routes into the design process.
The Center's mission is to develop and disseminate interoperable open source software, data and 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.
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.
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.