Materials Square for Solid State Physics

This course is designed for Solid State Physics.
The topic of file is “Studying the Properties of Solids with Computational Science” and is intended for a hands-on lesson using Materials Squares.

It is mostly suitable for third-year undergraduates and graduate students who want to study computational science.
All computational labs perform DFT calculations, and the computational time per lab is no more than 3 hours (on 48 cores).

There are 8 labs, which can be completed in 10~16 weeks when combined with the theory classes.

The list of computational exercises is as follows.
[Lab.1] Convergence setting for DFT simulation
[Lab.2] EOS, Bulk Modulus
[Lab.3] Cohesive Energy
[Lab.4] Electronic Structures
[Lab.5] Surface Structures / Surface Energies
[Lab.6] Optical Properties
[Lab.7] Phonon Dispersion
[Lab.8] Adsorption Structure / Adsorption Energy

MatSQ_for_class_SSP.pdf (24.9 MB)