Introduction to Modeling and Simulation
By Markus Buehler, Jeffrey Grossman
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Description
The second half of the course, taught by Prof Jeff Grossman, covers atomistic quantum modeling of materials, and explores some areas of application based on computational models.
| Name | Description | Released | Price | ||
|---|---|---|---|---|---|
| 1 | VideoLecture 0: Introduction to Part II: Quantum mechanical methods | The second half of the course, taught by Prof Jeff Grossman, covers atomistic quantum modeling of materials, and explores some areas of application based on computational models. | 12/17/2013 | Free | View in iTunes |
| 2 | VideoLecture 1: It's a quantum world: The theory of quantum mechanics | This lecture discusses the theory of quantum mechanics (QM), modeling and simulation, why QM is useful, and how it grew out of classical physics, and concludes with some simple examples. | 12/17/2013 | Free | View in iTunes |
| 3 | VideoLecture 2: Practice makes perfect | This lecture reviews quantization, wave aspect, double-slit experiment, Schrödinger, and discusses the hydrogen atom as a real-world example, spin and spin history, Pauli's principle, the periodic table, and concludes with simulations on NanoHub.org. | 12/17/2013 | Free | View in iTunes |
| 4 | VideoLecture 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. | 12/17/2013 | Free | View in iTunes |
| 5 | VideoLecture 4: Application of QM modeling: Solar thermal fuels (I) | This lecture reviews previous lessons, and covers quantum chemistry vs. density functional theory, with some interactive calculation and discussion about candidate fuels. | 12/17/2013 | Free | View in iTunes |
| 6 | VideoLecture 5: Application of QM modeling: Solar thermal fuels (II) | This lecture reviews energy levels and continues from the previous session on solar thermal fuels. There are interactive calculations and live simulations, and discussion about candidate fuels. | 12/17/2013 | Free | View in iTunes |
| 7 | VideoLecture 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. | 12/17/2013 | Free | View in iTunes |
| 8 | VideoLecture 7: Quantum modeling of solids: Basic properties | This lecture begins with inspiration for student projects, a review of the previous lesson, and continues with structural properties, band structure including in-class simulations, calculating density of states, and metals/insulators. | 12/17/2013 | Free | View in iTunes |
| 9 | VideoLecture 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. | 12/17/2013 | Free | View in iTunes |
| 10 | VideoLecture 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. | 12/17/2013 | Free | View in iTunes |
| 11 | VideoLecture 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. | 12/17/2013 | Free | View in iTunes |
| 11 Items |
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