Julia for Materials Modelling
|Hour||15:00 › 16:00|
|Speaker||Prof. Michael F. Herbst|
|Category||Conferences - Seminars|
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
- Informed public
- Prof. Michael F. Herbst