MIT的计算课程

greencalm

课程主页：
http://ocw.mit.edu/OcwWeb/Materi ... ourseHome/index.htm
Quantum Mechanics


Broad DFT review
Kohanoff, and Gidopoulos

Lecture 3b readings
Gentle online primers on Quantum Mechanics (PDF)

PDF联接：http://ocw.mit.edu/NR/rdonlyres/ ... 8ED6543C/0/text.pdf


Lecture 3b readings
Ab-initio methods, theory (PDF)
PDF联接：http://ocw.mit.edu/NR/rdonlyres/ ... /0/abinitiogerd.pdf

Lecture 6 readings
Overview of density-functional theory, pp. 1-37 (PDF - 1.6MB)

Lecture 6 readings
Ab-initio methods, practice (PDF -1.4 MB)
PDF联接：http://ocw.mit.edu/NR/rdonlyres/ ... A98E0/0/marzari.pdf
Overview of density-functional theory, pp. 38-85 (PDF - 1.7MB)
PDF联接：http://ocw.mit.edu/NR/rdonlyres/ ... FA9/0/marzari_2.pdf
其实，这个是MAZARI的博士论文，GOOGLE里可搜索下载

PDF联接：http://ocw.mit.edu/NR/rdonlyres/ ... /0/abinitiodane.pdf
Lecture 6 readings
Payne-Joannopoulos review (Chapter II)

Lecture 6 readings
Kohn's Nobel lecture

Lecture 8
Interatomic potentials from DFT





Molecular Dynamics


Lecture 10   
Ercolessi, Furio. \"Molecular dynamics primer.\"
联接：http://www.fisica.uniud.it/~erco ... 0300000000000000000
Lecture 12   
Marx, and Hutter review. \"Ab-initio Molecular Dynamics.\"
这个联接我忘了 我曾经下载过 要得话可Q我





Empirical Energy Methods


Empirical Potentials readings - Allen and Tildesley, pp. 1-26.

rainsfield

Good! I am downloading them.