Materials Studio Quantum and Catalysis Software


BIOVIA Materials Studio CASTEP is an ab initio quantum mechanical program employing density functional theory (DFT) to simulate the properties of solids, interfaces, and surfaces for a wide range of materials classes such as ceramics, semiconductors, and metals.

If you are an academic customer based in the European Union, you can now buy the Academic CASTEP Source Code to give you access to the underlying source code for CASTEP. Academic CASTEP Source Code enables you to:

  • Customize and extend the functionality in your own version of CASTEP. 
  • Join the CASTEP developers community and submit your developments back to the main CASTEP code base. 
  • Compile CASTEP to run on compute architectures outside of those supported by BIOVIA Materials Studio.
Note Academic CASTEP Source Code does not include a compiled version of CASTEP and does not include access to Materials Studio.

Please complete the form to request more information. 



Thank you for your interest in CASTEP