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Make atoms dance by integrating Newton's equations, following the forces generated by the interatomic potential.
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The 1D harmonic chain as a simple model of lattice vibrations in solids.
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Dimensionality reduction and linear regression: the basics of data-driven materials modeling
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What are the structure and stability of defects in crystals? In this video we review the most common type of defects - point defects, surfaces, dislocations - and use approximate interatomic…
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The interatomic potential measures the stability of an arrangement of atoms. We discuss both the construction of potentials as an approximation to physical interactions between the atoms, and the…
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