husayn gokal
Sharjah

MITMaterials Science3.021J

Introduction to Modeling and Simulation

planned·~168 hours total

Professor

  • Markus Buehler

Prerequisites

Materials

Buehler's intro to computational modelling and simulation in materials science. Molecular dynamics, Monte Carlo, DFT, finite element. Multiscale thinking from atoms to macroscopic structure.

Syllabus

  1. Week 1

    Modelling philosophy — atomistic to continuum

  2. Week 2

    Molecular dynamics — integration schemes

  3. Week 3

    Interatomic potentials

  4. Week 4

    Monte Carlo methods

  5. Week 5

    Statistical mechanics for simulation

  6. Week 6

    Quantum methods — DFT overview

  7. Week 7

    Finite element method — basics

  8. Week 8

    Mesh generation; elements; assembly

  9. Week 9

    Multiscale modelling

  10. Week 10

    Applications to materials

  11. Week 11

    Bio-inspired materials; soft matter

  12. Week 12

    Machine learning in materials simulation