husayn gokal
Sharjah

MITMaterials Science3.021J

Introduction to Modeling and Simulation

planned·~168 hours total

Professor

  • Markus Buehler
0

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