11 episodes

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.

Introduction to Modeling and Simulation MIT

    • Science

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.

    • video
    Lecture 0: Introduction to Part II: Quantum mechanical methods

    Lecture 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.

    • 31 min
    • video
    Lecture 1: It's a quantum world: The theory of quantum mechanics

    Lecture 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.

    • 1 hr 15 min
    • video
    Lecture 2: Practice makes perfect

    Lecture 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.

    • 1 hr 13 min
    • video
    Lecture 3: From many-body to single-particle: Quantum modeling of molecules

    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.

    • 1 hr 6 min
    • video
    Lecture 4: Application of QM modeling: Solar thermal fuels (I)

    Lecture 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.

    • 1 hr 20 min
    • video
    Lecture 5: Application of QM modeling: Solar thermal fuels (II)

    Lecture 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.

    • 1 hr 19 min

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