This course uses the theory and application of atomistic computer simulations to model, understand, and predict the properties of real materials. Specific topics include: energy models from classical potentials to first-principles approaches; density functional theory and the total-energy pseudopotential method; errors and accuracy of quantitative predictions: thermodynamic ensembles, Monte Carlo sampling and molecular dynamics simulations; free energy and phase transitions; fluctuations and transport properties; and coarse-graining approaches and mesoscale models. The course employs case studies from industrial applications of advanced materials to nanotechnology. Several laboratories will give students direct experience with simulations of classical force fields, electronic-structure approaches, molecular dynamics, and Monte Carlo.
This course was also taught as part of the Singapore-MIT Alliance (SMA) programme as course number SMA 5107 (Atomistic Computer Modeling of Materials).
Acknowledgements
Support for this course has come from the National Science Foundation's Division of Materials Research (grant DMR-0304019) and from the Singapore-MIT Alliance.

5.73 covers fundamental concepts of quantum mechanics: wave properties, uncertainty principles, Schrödinger equation, and operator and matrix methods. Basic applications of the following are discussed: one-dimensional potentials (harmonic oscillator), three-dimensional centrosymmetric potentials (hydrogen atom), and angular momentum and spin. The course also examines approximation methods: variational principle and perturbation theory.

This course is an introduction to quantum mechanics for use by chemists. Topics include particles and waves, wave mechanics, semi-classical quantum mechanics, matrix mechanics, perturbation theory, molecular orbital theory, molecular structure, molecular spectroscopy, and photochemistry. Emphasis is on creating and building confidence in the use of intuitive pictures.

This course presents an introduction to quantum mechanics. It begins with an examination of the historical development of quantum theory, properties of particles and waves, wave mechanics and applications to simple systems — the particle in a box, the harmonic oscillator, the rigid rotor and the hydrogen atom. The lectures continue with a discussion of atomic structure and the Periodic Table. The final lectures cover applications to chemical bonding including valence bond and molecular orbital theory, molecular structure, spectroscopy.
Acknowledgements
The material for 5.61 has evolved over a period of many years, and, accordingly, several faculty members have contributed to the development of the course contents. The original version of the lecture notes that are available on OCW was prepared in the early 1990's by Prof. Sylvia T. Ceyer. These were revised and transcribed to electronic form primarily by Prof. Keith A. Nelson. The current version includes additional contributions by Professors Moungi G. Bawendi, Robert W. Field, Robert G. Griffin, Robert J. Silbey and John S. Waugh, all of whom have taught the course in the recent past.

This is the first term of a theoretical treatment of the physics of solids. Topics covered include crystal structure and band theory, density functional theory, a survey of properties of metals and semiconductors, quantum Hall effect, phonons, electron phonon interaction and superconductivity.