MSE-305: Introduction to atomic-scale modeling

Lectures in this course (9)

Introduces atomic-scale modeling and computational predictions, emphasizing materials science fundamentals and Python programming skills.

Covers Python modules, objects, and data containers like lists and NumPy arrays.

Covers the representation of atomic structures on a computer and introduces exercises based on Jupyter notebooks.

Covers crystallography, lattice structures, vectors, and diffraction patterns.

Covers the 1D harmonic chain as a model of lattice vibrations in solids.

Explores the construction and evaluation of interatomic potentials for atomic stability and reactivity.

Explores the structure and stability of defects in crystals, emphasizing their impact on material properties.

Explores molecular dynamics, integrating Newton's equations to make atoms move according to interatomic forces.

Covers dimensionality reduction and linear regression in data-driven materials modeling.

Page 1 of 1