CHE 501 , VISTEC spring term 2021
Scientifc literature project for 50% of the final grade

Non-exhaustive list of publications for your studies (in no particular order)
some are long (e.g. review papers), others short, some easier, some more difficult

You can do the project alone (eg if it is too difficult to communicate)
then we expect a presentation of about 10 minutes (with 5 minutes questions)
or you can form a team of two with a classmate
then we expect a presentation of about 20 minutes (with 10 minutes questions)
both members of the team speaking about 50% of the time

Requirements
- Select a paper and tell us which one you selected (not the same one as somebody else)
- Prepare a little seminar/lecture about the paper, 10 minutes + 5 minutes questions
   Your should discuss the following points
     which question(s) did the authors want to answer?
     which method did they use?
     discuss one or two results which seem important to you (not all results)
     critical remarks
- You can prepare a few slides/powerpoint, not more than 3 or 4 pages

1) Adsorption and diffusion of light alkanes on nanoporous faujasite catalysts investigated by molecular dynamics simulations

2) Structure and Dynamics of Water Confined in Single-Wall Nanotubes

3) A molecular dynamics study of a liquid-liquid interface: structure and dynamics

4) Thermal stabilization of thin gold nanowires by ssurfactant-coating: a molecular dynamics study

5) Do more strongly hydrogen-bonded water molecules reorient more slowly ?

6) Computer simulations of electrochemical systems

7) Computer simulation of the structure of the electrochemical double layer

8) Molecular Dynamics simulations of liquid isoquinoline as a function of temperature

9) Relation between hydrogen bonding and intramolecular motions in liquid and supercritical methanol,

10) Disorder in ice polymorphs: A Monte Carlo simulation study

11) Simple short-ranged models of water and their application. A review

12) Molecular dynamics simulation study of the concentration dependence of the self-diffusivity of methanol in NaX zeolite

13) Development of a MOF-FF-compatible interaction model for liquid methanol and Cl^- in methanol

14) Computer simulation studies of counterion effects on the properties of surfactant systems (review)

15) Computer simulation of solvation dynamics in hydrogen-bonding liquids

16) any other paper on theoretical chemistry you like (after approval by one of us)