SimPhoNy Tutorials


Tutorials for 1st version of SimPhoNy; some parts will remain, some be later extended.
Introduction to multiscale modelling:

Materials can be studied at many different length scales; from electronic to macroscopic. In the image above different techniques are shown as functions of length scales and of timescales for their dynamics.

SimPhoNy framework:

This scheme illustrates the different codes needed for multiscale modelling. From lower left to upper right, ( with links to be included )

  1. Quantum Espresso
  3. GULP
  4. LB - Lattice Boltzmann
  5. .....

SimPhoNy pyramid:

The pyramid shows the different levels of accessibility in the SimPhoNy project, from the lowest level of simulations to the highest of the user interfaces.

add links to wiki and expanations.


* intro to system(s)
 (linux(es) and windows? - links to tutorials)
* computer languages
 (links to tutorials)
* list of codes
 (with links to tutorials)  
* what is a wrapper
 (pull from proposal????)
* example - lammps md wrapper
I need a current link to current LAMMPS MD wrapper; the rest I can do a 
first draft sometime next week, then get inputs from everyone.

Graduate Students and Researchers:
  • There is educational material on the AViz website which will be annotated and listed here in the near future.
  • Several websites covering LAMMPS and QUANTUM ESPRESSO as well as instructions to use AViz for beginners have been prepared for and by Technion Graduate and course students and will be made more general shortly. These include:
    2. QUANTUM ESPRESSO - TAMNUN Project of Bastien Grosso
    3. Monte Carlo code for Liquid crystals in python to AViz - Project of Hila Glanz
    4. AFM resuts in HDF4 to AViz - Pavel Aharonov's project
    5. Firefly and PCGAMESS input to AViz - Or Cohen's project
    6. QE phonon spectrum - Asaf Haddad's class project