Julia for Materials Modelling


Event details

Date 24.05.2023
Hour 15:0016:00
Speaker Prof. Michael F. Herbst
Location Online
Category Conferences - Seminars
Event Language English

The Julia programming language has emerged in the past years as an alternative to the traditional python / Fortran / C++ mix in scientific computing. Being both compiled and high-level it attracts a remarkably broad user base covering computer scientists, mathematicians and application scientists in physics, biology, medicine and many more. With respect to the multidisciplinary field of atomistic materials modelling I will provide a short overview of the current state of Julia codes and provide perspectives for using Julia in this field.

Outline of what we will discuss:

  • What makes Julia special: How can it be high-level and fast?
  • Overview of existing tools for density-functional theory (DFT) and molecular dynamics (MD), such as DFTK, Molly, Wannier and related ecosystem packages
  • Some hands-on showcases
The presentation material is available on https://github.com/mfherbst/julia-for-materials.

Practical information

  • Informed public
  • Free



  • Prof. Michael F. Herbst

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