DFTK school 2022:   Numerical methods for density-functional theory simulations

The DFTK school 2022 will take place from 29 to 31 Aug 2022 at Sorbonne Université, Paris and invites researchers interested in the numerical and mathematical background of electronic-structure simulations as well as methodological developments in density-functional theory (DFT). We currently plan this as an on-site event.

The school will discuss the methodology underpinning modern DFT approaches and we have reserved ample time for hands-on sessions to conduct numerical experiments and simulation exercises. For the latter we will introduce participants to the Julia programming language as well as to DFTK, an accessible (less than 7000 lines) DFT code equipped with state-of-the-art performance to treat systems with 1000 electrons.

With this school we want to further straddle the divide between simulation practice and fundamental research in electronic-structure methods and we look forward to an interdisciplinary audience. Amongst others we encourage participation from

  • condensed matter physicists interested in modern software development methodologies and the mathematical background of DFT,

  • mathematical physicists, applied mathematicians and computer scientists interested in the numerical aspects of electronic-structure simulations, and

  • quantum chemists interested in discovering solid-state physics

Due to the heterogeneity of backgrounds, prerequisites for this school are minimal. The school will cover aspects of electronic structure, numerical methods, implementation in Julia, DFTK and applications to condensed matter physics; participants are only expected to have a basic knowledge of programming and numerical methods. On the first day we will have a poster session, allowing participants to introduce each other to their research.

Registration

To ensure a familiar atmosphere and to encourage interactions the school will be limited to 30 participants. If you would like to participate, please register here by 30th April 2022. Admission decisions will be made in May on the basis of scientific suitability. The school is free of charge and we have limited funding to support local expenses, primarily intended for undergraduates and PhD students. If you need funding please indicate so in the registration form. Note, that we will not be able to fund your travel (e.g. train or plane tickets).

Organisers

Confirmed speakers