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Course11210628935 lectures

Foundations of Computational Materials Modelling

Prof. Narasimhan Swaminathan · IIT Madras

Start with lecture 1 At NPTEL

Lectures

Week 1

  1. Introduction to the course Video
  2. Some applications of MD simulations Video
  3. Introduction to Bravais lattices and constructing simple crystals with MATLAB Video
  4. Introduction to symmetry - 1 Video
  5. Symmetry Elements - 1 Video

Week 2

  1. Symmetry elements-2 Video
  2. Plane groups and their Hermann-Maugin (HM) symbols Video
  3. Glide reflection; Examples of writing point group symbols; Wyckoff positions Video
  4. Generating 2D crystal with MATLAB using Bilbao crystallography website Video

Week 3

  1. Symmetry of space groups Video
  2. Hernann maugin symbols of space groups Video
  3. Translational symmetry operators Video

Week 4

  1. The Space groups Video
  2. Generation of crystals Video

Week 5

  1. Generation of monoclinic lattice Video
  2. Introduction to Statistical Mechanica 1 Video
  3. Introduction to Statistical Mechanica 2 Video

Week 6

  1. Introduction to sttistical mechanics-3 Video
  2. Statistical mechanics-1 Video

Week 7

  1. Statistical mechanics 2 Video
  2. Basic introduction to mechanics Video

Week 8

  1. Introduction to phase space Video
  2. Introduction to phase average and time average Video
  3. Canonical ensemble; Partition function Video

Week 9

  1. Basic introduction to MD Video
  2. Input script for LAMMPS 1 Video
  3. Input script for LAMMPS 2 Video

Week 10

  1. Input script for LAMMPS 3 Video
  2. Input script for LAMMPS 4 Video
  3. LAMMPS exercises 1 Video
  4. LAMMPS exercises 2 Video

Week 11

  1. LAMMPS exercises 3 Video
  2. LAMMPS exercises 4 Video

Week 12

  1. LAMMPS exercises 5 Video

Live Session

  1. Live Session 24-08-2021 Video

Syllabus and materials

At NPTEL, as the course publishes them.

Credits and licence

Institution
IIT Madras
Department
Mechanical Engineering
Teacher
Prof. Narasimhan Swaminathan
Level
Undergraduate
Language
English
Subjects
Engineering
Source
NPTEL
Licence
CC BY-NC-SA, as NPTEL states it. Non-commercial use only. NPTEL's terms
Attribution
NPTEL states: "Distributed under Creative Commons Attribution-ShareAlike / CC BY - NC - SA", beside a BY-NC-SA badge.
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