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Introduction to Modeling and Simulation

Introduction to Modeling and Simulation

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Lecture 3: From many-body to single-particle: Quantum modeling of molecules

This lecture briefly reviews the previous lesson, discusses the many-body problem, Hartree and Hartree-Fock, density functional theory (DFT), and covers computational approaches, modeling software, and PWscf (plane-wave self-consistent field) input.

1hr 6mins

17 Dec 2013

Rank #1

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Lecture 10: Solar photovoltaics

Beginning with a review of problem set six, this lecture overviews climate change, covers solar photovoltaics, solar cells, the electron, how computational QM can impact solar PV, and introduces dye-sensitized solar PV.

1hr 15mins

17 Dec 2013

Rank #2

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Lecture 9: Some review and introduction to solar photovoltaics

This lesson reviews problem set five and other examples, goes over previously covered topics for the upcoming quiz, and continues with discussion of energy, renewable energy, fossil fuel, data and motivations for alternative fuels.

1hr 20mins

17 Dec 2013

Rank #3

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Lecture 8: Advance properties of materials: What else can we do?

This lecture begins with a brief review of lattices, band structure, and Fermi function, and continues with discussion of electrical, optical, magnetic, transport, and vibrational properties of solids.

1hr 21mins

17 Dec 2013

Rank #4

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Lecture 6: Hydrogen storage, and atoms to molecules

The lecture discusses hydrogen storage, hydrogen as fuel, crystal symmetries, lattices and inverse lattices, Brillouian zone, periodic potentials, Bloch's theorem, and energy bands.

1hr 16mins

17 Dec 2013

Rank #5