Materials Simulation & Modelling

  • AddressShow on map

    Groene Loper 19, Flux

    5612 AP Eindhoven


  • Postal addressShow on map

    P.O. Box 513, Flux

    5600 MB Eindhoven


Organisation profile

Introduction / mission

We use simulation to design multifunctional materials and optimize processes related to renewables and energy efficiency

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Organisation profile

The Materials Simulation & Modelling Group (MSM) in the Department of Applied Physics uses high-performance computers to simulate materials that potentially revolutionize renewable energy and green technology. We develop and apply both quantum and classical methods, together covering a comprehensive multiscale approach to studying materials and complex molecules from the atomistic scale to the nanoscale. Systems we currently focusing on include, but are not limited to, porous materials, novel semiconductors and hybrid nanomaterials. These are exciting materials that have a lot to offer. However, to establish unique relations between chemical composition, physical properties and their functionalities in the final application is still a chimera. Our motivation is to use theoretical analysis and computer modelling to “invent” materials that meet the current energy and environmental challenges of our society.

UN Sustainable Development Goals

In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. Our work contributes towards the following SDG(s):

  • SDG 7 - Affordable and Clean Energy
  • SDG 13 - Climate Action
  • SDG 14 - Life Below Water


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