Link to Canvas
Links to lecture materials are below. Each lecture covers a big topic, and generally it takes several academic lectures to cover each of them.
Useful books related to the course are placed here
Lecture 1 - Stability of Materials: types of stability, measure of stability, technical ways of computations, phase diagrams
Lecture 2 - Mechanical properties and stability of materials: Small deformation of solid state, Mechanical stresses, Hook’s law, Elastic constants, Elastic moduli, Mechanical stability criterion, Stress-strain diagram, AI for hardness
Lecture 3 (Invited), Dr. Ilia Chepkasov - Nanoparticles
Lecture 4 - Lattice vibrations: What are phonons? Vibrations lattice with identical atoms, Equations of motion, Phonon dispersion
Lecture 5 - Surfaces: Reminders on crystallography, 2D lattice, Miller index, Surface structures, Surface notations, Relaxation and reconstruction, Energy calculations
Lecture 6 – Defects in Solids: Reminder about crystals, types of defects, point defects, line defects, dislocations and properties, polycrystals
Lecture 7, Aleksandra Radina – Catalysis: General principles of catalysis, descriptors, theories of chemical reactions, homogeneous and heterogeneous catalysis, photocatalysis
Lecture 8 (Invited), Prof. Dmitry Kvashnin – Stability of 2D materials
Lecture 9 (Invited), Dr. Alexey Kartsev - Magnetic materials
Lecture 10 (Invited), Mikhail Lukanov – Kinetics on the surface. Materials for practice is here.
SCHEDULE for 2024 year is here.
Tutorials on Quantum ESPRESSO is be placed here. Useful scripts to work with QE tutorial is placed here.