Lecture Notes

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LEC # TOPICS MATERIALS
1

Introduction: general info (PDF)

Continuum methods (PDF - 1.1 MB)#

Atomistic and molecular methods (PDF - 1.4 MB)#

Quantum mechanical methods (PDF - 1.6 MB)#

Part I: Continuum methods (Raúl Radovitzky) Mathematica Scripts
2 Analysis; formulation of discrete mathematical models (PDF)
3 Continuous systems (PDF) (NB)
4 Weighted residual and weak formulations (PDF) (NB)
5 Energy formulations and the Ritz method (PDF) (NB)
6 The finite element method (part I) (PDF)
7 The finite element method (part II) (PDF) (NB)
8 The finite element method (part III) (PDF)
9 The finite element method (part IV) (PDF)
10 The finite element method (part V) (PDF)
11 Quiz 1
Part II: Atomistic and molecular methods (Markus Buehler) Concept Questions
12 Introduction to atomistic modeling (PDF - 1.0 MB) (PDF)
13 Basic statistical mechanics (PDF) (PDF)
14 Basic molecular dynamics (PDF) (PDF)
15 Interatomic potential and force field (PDF - 2.2 MB) (PDF)
16 Interatomic potential and force field (cont.) (PDF - 2.9 MB) (PDF)
17 Application to mechanics of materials: brittle materials (PDF - 3.2 MB) (PDF)
18 Application to mechanics of materials: ductile materials (PDF - 6.0 MB) (PDF)
19 Review (PDF - 4.8 MB)
20 Quiz 2
Part III: Quantum mechanical methods (Timo Thonhauser)
21 The theory of quantum mechanics (PDF - 1.8 MB)
22 Practice makes perfect (PDF - 2.5 MB)
23 From many-body to single-particle: quantum modeling of molecules (PDF - 4.7 MB)
24 From atoms to solids (PDF - 2.2 MB)
25 Quantum modeling of solids: basic properties of materials (PDF - 2.0 MB)
26 Quantum modeling of solids: advanced properties of materials (PDF - 1.8 MB)
27 What else can we do?