Materials Science

  • Ab-Initio Electronic Structure Methods

    We work on the development, implementation and application of ab-initio electronic structure methods for the simulation of materials and molecules. These methods are based on quantum mechanics, offering high-accuracy and flexibility without the need of experimental inputs.

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  • Electronic transport

    This research line aims at the development and application of electronic transport simulation tools. We use ab-initio approaches based on fundamental quantum mechanical principles to get highly precise and reliable results.

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