Research Overview

We aim at developing tools and strategies to unravel structure-function relationships in complex materials and identify rules which may be used in experiments. We primarily target materials for the realization of optimal and/or new color centers for quantum technologies and for the storage and transformation of solar energy into electricity or fuel. Our tools and strategies are general and flexible enough to be applicable to broader classes of problems, for example low-power electronics and solid-state lighting.

Three-step strategy of MICCoM: develop & verify, optimize & deliver, prepare for exascale


The main interoperable codes developed by MICCoM are Qbox, WEST, and SSAGES.


The four validation tasks are defined by their materials focus: Spin Defects, Phase Transformations, Interfaces, and Nanoscale Building Blocks


Dissemination of searchable data (collections and publication notebooks)