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
29.08.2024 - 30.08.2024 As part of our group's involvement in the Modelling, Analysis and Simulation of Molecular Systems interest group, Michael co-organises a workshop on Uncertainty Quantification in Molecular Simulation (jointly with Feliks Nüske). The workshop will be a lunch-to-lunch event tailored to people, who are familiar with the modelling of molecular simulations, but not yet familiar with UQ and error estimation.
13.05.2024 - 17.05.2024 Jointly with Eric Cancès and Antoine Levitt Michael co-organises a minitutorial Linear Algebra Challenges in Electronic Structure Simulations at SIAM Linear Algebra (SIAM LA) in Paris, France.
Later in the week Michael will also speak about An Adaptive Line Search for Self-Consistent Field Problems of Electronic Structure Theory in the minisymposium Eigenvector-Dependent Nonlinear Eigenvalue Problems and Applications.
01.04.2024 Anna Paulish joins our group as a PhD student. Welcome Anna! We look forward to our part in your scientific explorations in the years to come.
DFTK: The density-functional toolkit