ComputationalApproachMatSciEngg

These are the near final lectures notes of a course titled Computational Approach to Materials Science and Engineering. These notes consist of four parts. Some sections of the Part II and Part III have been used by me and Prof. Pant in some of the courses that we teach. In this page, I will post the pdf files of these lecture notes. These notes and the accompanying codes are shared under GPL; please feel free to peruse these and let me know if you have comments, suggestions and/or clarifications.

Part I

Introduction

Part II

Module 1: The C programming language

Module 2: gnuplot

Module 3: GNU Octave

Module 4: Scilab

Module 5: Miscellanea

Part III

Module 1: Plotting

Module 2: Fitting

Module 3: Interpolation

Module 4: Numerical differentiation

Module 5: Numerical integration

Part IV

Module 1: Structure and defects

Module 2: Regular solution model

Module 3: Diffusion

Module 4: Spinodal decomposition

Module 5: Order-disorder transformation

Module 6: Molecular dynamics

Module 7: Monte Carlo simulations