Learn · Foundations of Computational Materials Modelling
Lecture 4 of 35Week 1
Introduction to symmetry - 1
Prof. Narasimhan Swaminathan · IIT Madras
Credits and licence
- From
- Foundations of Computational Materials Modelling, IIT Madras (at NPTEL)
- Licence
- CC BY-NC-SA, as NPTEL states it. Non-commercial use only.
- Attribution
- NPTEL states: "Distributed under Creative Commons Attribution-ShareAlike / CC BY - NC - SA", beside a BY-NC-SA badge.
- Who can watch
- Tweens profiles and older. How courses are placed
All the lectures
- Introduction to the course
- Some applications of MD simulations
- Introduction to Bravais lattices and constructing simple crystals with MATLAB
- Introduction to symmetry - 1
- Symmetry Elements - 1
- Symmetry elements-2
- Plane groups and their Hermann-Maugin (HM) symbols
- Glide reflection; Examples of writing point group symbols; Wyckoff positions
- Generating 2D crystal with MATLAB using Bilbao crystallography website
- Symmetry of space groups
- Hernann maugin symbols of space groups
- Translational symmetry operators
- The Space groups
- Generation of crystals
- Generation of monoclinic lattice
- Introduction to Statistical Mechanica 1
- Introduction to Statistical Mechanica 2
- Introduction to sttistical mechanics-3
- Statistical mechanics-1
- Statistical mechanics 2
- Basic introduction to mechanics
- Introduction to phase space
- Introduction to phase average and time average
- Canonical ensemble; Partition function
- Basic introduction to MD
- Input script for LAMMPS 1
- Input script for LAMMPS 2
- Input script for LAMMPS 3
- Input script for LAMMPS 4
- LAMMPS exercises 1
- LAMMPS exercises 2
- LAMMPS exercises 3
- LAMMPS exercises 4
- LAMMPS exercises 5
- Live Session 24-08-2021