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TTU: Computer-Aided Nano-Engineering

(An intensive Ph.D. course offered at Tallinn University of Technology (TUT), Estonia, May 14 - 16, 2012)

Instructor: Prof. Yan Wang
Lecture No. Topics Handouts
1 Introduction of Computer-Aided Nano-Engineering
  • Fundamental concepts of modeling
  • Modeling & simulation
    		•  Slides
    2 Geometric Modeling in Computer-Aided Nano-Design
  • Modeling and visualization of nano structures
  • Periodic surface model
  • Surfacelet representation
    		•  Slides
    3 Quantum Mechanical Simulations
  • Quantum Monte Carlo
  • Hartree-Fock Self-Consistency Field
  • Density Functional Theory
    		•  Slides
    4 Nanoscale Simulations
  • Molecular Dynamics
  • Kinetic Monte Carlo
    		•  Slides
    5 Multiscale Simulations
  • First-Principles Molecular Dynamics
  • On-the-fly KMC
  • Quasicontinuum Method
  • Coarse Grained Molecular Dynamics
    		•  Slides