## Mathematics 285J

Mathematical Aspects of Computational Materials Science

Winter Quarter, 2002, Mo. and We., 11:00 - 12:20

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Class Schedule

This is a tentative overview over the topics of each lecture. Please note that the subject and/or order of the lectures might change

Jan. 7: Course Overview; Concept of multiscale modeling

Jan. 9: A brief review of concepts in quantum mechanics

Jan. 14: Some basics of many-body quantum mechanics

Jan. 16: Hartree-Fock theory

Jan. 23: Density-functional theory I: Theorems by Hohenberg and Kohn

Jan. 28: Density-functional theory II: The Kohn-Sham equations

Jan. 30: Density-functional theory III: A plane wave implementation and applications

Feb. 4: Density-functional theory IV: FLAPW and applications (Richard Ross)

Feb. 6: Density-functional theory V: Surface diffusion and reconstructions

Feb. 11: Atomistic Models: Molecular dynamics, and transition state theory

Feb. 13: KMC simulations; Theory, and a simple, cubic model

Feb. 20: KMC simulations III: A high resolution growth model (Frank Grosse)

Feb. 25: Mean-field rate equations

Feb. 27: Continuum equations for epitaxial growth I

Mar. 4: Level-set method for epitaxial growth (first half),

and a guest lecture on the basics of elasticity theory (Cameron Connell, second half)

Mar 6: Elasticity theory (Cameron Connell)

Mar. 11: Student seminars I (Lee, Cecil, Kao, Jeon, 20 minutes each)

Mar. 13: Student seminars II (Song, Bae, Cotta, Xu, 20 minutes each)

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