Outlook to 2022

A quick teaser to some workshops I will organise next year.

  • 17/18 Feb 2022: Introduction to the Julia programming language (virtual).
    In two half-day sessions I will provide a concise overview of the Julia programming language and offer to get some hands-on practice. The selection of exercises and small projects makes the course particularly well-suited for interdisciplinary researchers in the computational sciences, but is free and open to everyone. Course website. Registration link.

  • 20-24 Jun 2022: CECAM workshop: Error control in first-principles modelling (hybrid: Lausanne, Switzerland and virtual).
    In this workshop, which I organise jointly with Gábor Csányi, Geneviève Dusson, Youssef Marzouk, we plan to bring together mathematicians and simulation scientists to discuss error control and error estimation in first-principles simulations, an aspect which to date has seen too little attention in our opinion. We want to bring together experts on numerical analysis and uncertainty quantification on the one hand and researchers working on electronic-structure and molecular-dynamics methods on the other to identify promising directions of research to make progress in this topic. Website and registration.

  • 29-31 Aug 2022: DFTK school: Numerical methods for density-functional-theory simulations (Paris, France).
    Antoine Levitt and Eric Cancès and myself will organise an interdisciplinary summer school next year, centred around our joint work on DFTK and numerical developments in density-functional theory (DFT). With the school we want to bridge the divide between simulation practice and fundamental research in electronic-structure methods: It is is intended both for researchers with a background in mathematics and computer science interested to learn the numerics of DFT and physicists or chemists interested in modern software development methodologies and the mathematical background of DFT. Course website. Registration link.