ESE batch 6 students, 2nd semester

CHE501 Modeling of Molecules, Materials and Processes   (Aj. Sareeya)
via ZOOM*
--> ZOOM conection like for CHE502<--

students meet in room E106 (probably) in the ESE building
on every afternoon 14.00h - 17.00h vistec time
                             (08.00h - 11.00h Europe time)
from (presumably) Jan 25, 2021 to Feb 5, 2021
Exam : Monday Feb. 8 2021, 14.00h Thailand time

            simulation
        molecular simulation
        by VISTEC scientists
Like in the 1st semester the classes will be essentially structured as follows:
(1) Michael and/or Philippe will give a short introduction to a topic
(2) - Students will be given a reading assignment until the following week
      - Students will prepare a list of questions to be discussed
      - We will prepare lecture notes (pdf file, see below) for each topic
        (see also the lecture notes from previous years here)
(3) The following session will start with a general discussion
(4) Back to (1)

Do to the situation, there will be no general computer lab classes in che501.
  You are given the choice
  Either to do a literature project (seminar, presentations (alone or in a group of 2) about a published paper
  Or to do a computational project on your own computer involving MATLAB (or Octave)
  For details on both see Part 3 below


Foreword

Part 1: Recall of CHE502   Notes

Part 2: Introduction to Modeling, Computer Simulations (MD and MC)
      --> Illustration : A 2d Force Constant Matrix (pdf) same as ppt
      --> Illustration : Velocity autocorrelation functions principle  , Water (+spectral densities)   NaCl in MeOH

Part 3: Literature project (seminar)
  or     Computer (MATLAB) project (with solutions)
          Congratulations to everybody for the very good presentations

Part 4: Coarse graining, other simulations, integral equations (if time permits)
           see Part 2 after page 96


--> Names and Times
--> A few concepts you should master and things you should be known from che502 (see exam)
--> back to che502


of interest:

various "Quantum" webinars (from a Thai company)



* Aj. Michael will be teaching from his home or office in Innsbruck, Austria
  Aj. Philippe will be teaching from his home in Pessac, France

updated Feb 5 2021, 12.35h