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
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 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.

 video
Lecture 2: Practice makes perfect
This lecture reviews quantization, wave aspect, doubleslit experiment, Schrödinger, and discusses the hydrogen atom as a realworld example, spin and spin history, Pauli's principle, the periodic table, and concludes with simulations on NanoHub.org.

 video
Lecture 3: From manybody to singleparticle: Quantum modeling of molecules
This lecture briefly reviews the previous lesson, discusses the manybody problem, Hartree and HartreeFock, density functional theory (DFT), and covers computational approaches, modeling software, and PWscf (planewave selfconsistent field) input.

 video
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.

 video
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.