NOC:Foundations of Computational Materials Modelling

Lecture 1 - Introduction to the course

Lecture 2 - Some applications of MD simulations

Lecture 3 - Introduction to Bravais lattices and constructing simple crystals with MATLAB

Lecture 4 - Introduction to symmetry - 1

Lecture 5 - Symmetry Elements - 1

Lecture 6 - Symmetry elements - 2

Lecture 7 - Plane groups and their Hermann-Maugin (HM) symbols

Lecture 8 - Glide reflection; Examples of writing point group symbols; Wyckoff positions

Lecture 9 - Generating 2D crystal with MATLAB using Bilbao crystallography website

Lecture 10 - Symmetry of space groups

Lecture 11 - Hernann maugin symbols of space groups

Lecture 12 - Translational symmetry operators

Lecture 13 - The Space groups

Lecture 14 - Generation of crystals

Lecture 15 - Generation of monoclinic lattice

Lecture 16 - Introduction to Statistical Mechanica - 1

Lecture 17 - Introduction to Statistical Mechanica - 2

Lecture 18 - Introduction to Statistical Mechanics - 3

Lecture 19 - Statistical mechanics - 1

Lecture 20 - Statistical mechanics - 2

Lecture 21 - Basic introduction to mechanics

Lecture 22 - Introduction to phase space

Lecture 23 - Introduction to phase average and time average

Lecture 24 - Canonical ensemble; Partition function

Lecture 25 - Basic introduction to MD

Lecture 26 - Input script for LAMMPS - 1

Lecture 27 - Input script for LAMMPS - 2

Lecture 28 - Input script for LAMMPS - 3

Lecture 29 - Input script for LAMMPS - 4

Lecture 30 - LAMMPS exercises - 1

Lecture 31 - LAMMPS exercises - 2

Lecture 32 - LAMMPS exercises - 3

Lecture 33 - LAMMPS exercises - 4

Lecture 34 - LAMMPS exercises - 5