Computational Science Resources and Documentation#

MPSD logo, discretised

You are looking at the resources pages of the Computational Science scientific support unit at the Max Planck Institute for Structure and Dynamics of Matter in Hamburg, Germany.

The material here is meant to provide some guidance for research involving computation. However, the field of computational science, underpinning experimental and theoretical research, is relatively new and developing quickly. So whatever (opinionated?) views are expressed here, may not be applicable to your research challenge, outdated or simply wrong:

Please do get in touch with any corrections, ideas, need for clarifications and support requests.

Researchers outside the MPSD are welcome to use these resources, and are invited to provide feedback for improvements.

About these pages#

These pages are put together using the sphinx documentation system, and are hosted using GitHub pages.

You can navigate the pages using the cursor keys: cursor to the left and right will jump from section to section. Cursors keys up and down scroll the current page.


  • This is work in progress.

  • More material and pages will be added.

  • Please approach us to indicate what is of highest importance for your work.