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)