The Midwest Integrated Center for Computational Materials (MICCoM) develops and disseminates interoperable computational tools - open source software, data, simulation templates, and validation procedures - that enable simulations and predictions of properties of materials for low-power electronics and for quantum technologies. The distinctive features of the center are:
code interoperability extends the scope of quantum simulations: govoni, whitmer, de pablo, gygi, galli collaboration.
Open source software Qresp: “Curation and Exploration of Reproducible Scientific Papers” facilitates the organization, annotation and exploration of data in scientific papers. M. Govoni, et al, Sci. Data, 6:190002, (2019).
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Research Highlight
Software for many-body perturbation theory simulations
Software for first principles molecular dynamics simulations
Software for reactive pathway identification and free energy measurements with classical molecular dynamics
Open source Python library to simulate the dynamics of a spin qubit interacting with a spin bath using the cluster-correlation expansion (CCE) method.
