ESE batch 7 CHE 501 academic year 2021/22 spring term
      ESE batch 7 CHE 501 academic year 2021/22 spring term

      Classes are scheduled for Jan 31 to Feb 11 2022
      classes will (unfortunately again) be via ZOOM
      as usual in the afternoon (VISTEC time , morning in Europe)

    --> you will get a mail with the link before the classes start<-

      Bernie Alder
      Berni Alder (1925-2020)
Recalling CHE502
Main part (pdf)
Part 2 (incl. computer project) (work in progress)


Illustrations, Videos
Periodic Boundary Conditions (PBC)
Minimum distance (or image) convention
Numerical integration (not of Newton's equation) (MATLAB)
MD A lecture from MIT, start around minute 54
(you will recognize many arguments made in CHE502
also check out the lecture notes here)

Water O-O rdfs with different bin-widths of the histogram
Michael's MC files

Various things mentioned in passing in class
Lagrange multipliers
Lagrange point
Miscibility gap
Boiling point
Lennard-Jones
(historic, thermodynamics, and many other details and developments)

Mean field theories

Homework (also sent by mail)
(save files)
-- Analyzing data: OCTAVE (MATLAB) code data
    But be careful!
-- Plotting LJ potentials: Explanations  Plots (pdf)



  Additional information and illustrations
  - Aj.Teepanis Chachiyo excellent online courses, in Thai (SIAMPHYSICS)
      (check in particular 'Quantum ...', Statistical Mechanics, Numerical Methods)
        see also the many computer codes (in several programming languages) that are provided)
  - materials from previous years
Usefull software
- MATLAB (available to you through VISTEC)
- GNU Octave, like MATLAB, free
- gnuplot (use 5.2) universal plotting (and fitting and scripting and ...) software, free
- VMD, molecular visualization (and evaluation), free



Feb. 6. 2022 1125h pab Toctoucau