Advanced Hierarchical Materials by Design Lab

Multiscale Material Design: from Atoms to Structures

Syllabus

Lecture 1: Introduction to modeling & simulation materials

Lecture 2: Newtonian dynamics and fundamentals of molecular dynamics

Lecture 3: Long-range interactions and cutoff

Lecture 4: Ewald summation, setting up MD simulations, and calculating properties

Lecture 5: Analyzing MD simulations

Lecture 6: MD simulations using LAMMPS

Lecture 7: MD simulations using VMD

Lecture 8: Statistical Models

Lecture 9: Statistical Models-Hands on

Lecture 10: Statistical Models

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