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Computational Materials

  1. Jun 28, 2012 #1
    Hi all,

    I'm currently a senior studying chemical engineering. I'll be graduating this December. I am greatly interested in pursuing a PhD in materials science, and I am looking for programs that include an emphasis in computational materials (e.g. simulation of atomic structures). I am self-studying quantum mechanics from Griffiths, and I am loving every minute of it. I bring this up as quantum mechanics supplies the groundwork in modeling atomic structures (as in density functional theory).

    My questions are as follows:

    1) Does anyone have some good resources on learning more about the field of computational materials? A list of topics for me to research perhaps?

    2) What schools have notable materials science programs that emphasize mathematical modeling of materials?

    3) What sort of coding ability would I need to pursue this field? I have a basic proficiency in using Python, and I am looking into Fortran 90. I am experienced in Matlab and Comsol as well. I've dabbled in Mathematica.

    I appreciate the help.
  2. jcsd
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