Welcome to the website of the Mathematics for materials modelling research group. Our research centres on bringing insight from maths to materials modelling, with the aim to understand simulation error and improve robustness of modelling schemes. This is an interdisciplinary mission and we frequently collaborate with researchers across the fields of mathematics, physics, computer science and materials. At EPFL we are part of both the Institute of Mathematics and the Institute of Materials.
You can learn more about our work by taking a look at our research topics, the software we develop or our recent publications. If you are interested and you want to work with us, feel free to take a look at our our job openings. We also offer student projects at various levels.
epfl-matmat github organisation
Michael Herbst's website
16.06 - 18.06.2025 Michael is an invited speaker at the 3rd general meeting of the French working group on many-body theory (GDR NBODY) in Nancy, Francy.
23.06 - 27.06.2025 Michael has been invited to speak at the CECAM workshop The atomic simulation environment ecosystem: Present and perspectives organised by the atomistic simulation environment (ASE) community. He will present on progress of the JuliaMolSim ecosystem for atomistic modelling in Julia and its integration with the ASE python world.
25.08 - 28.08.2025 The MatMat group will attend the Psi-k conference in Lausanne, Switzerland. Michael is involved in organising two sessions at the conference, one on Modern collaborative electronic structure development and one on Sharing software development practices across community.
25.11 - 28.11.2025 Jointly with Sanggyu Chong (EPFL), Genevieve Dusson (CNRS), Federico Grasselli (Modena) and Julia Westermayr (Leipzig) we will organise a CECAM / Psi-k workshop Uncertainty quantification in atomistic modelling in Lausanne, Switzerland. In the workshop we want to bridge various topics and directions on how to quantify and propagate uncertainties from DFT through ML towards predicted properties.
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DFTK: The density-functional toolkit