A bachelor course in understanding simulations and programming with Python
See INSTALL.MD
- Introduction to simulation thinking
- Variables and datatypes
- Print (output)
- Operators and expressions
- Booleans (if else or)
- Looping and Double looping
- Importing modules (e.g. numpy)
- Non-interacting particles
- box boundaries
Science
molecular dynamics and LJ-potential
- modelering af gas og væsker
- molecular dynamic = newstons 2. lov - del 1
- lennart-Jones potentialet
- molecular dynamic = newstons 2. lov - del 2
- initalisering
- udregning af kræfter og at tage et skridt
- skridtlængde
- ækvilibering og konstant E vs konstant T
Programming
- functions
- read/write files
Exercise
- Hard sphere model
- histogram
Science
- grænseproblemet
- periodiske grænsebetingelser - en skitse
- periodiske grænsebetingelser - en animation
- cutoff - del 1
- cutoff - del 2
- udregning af molekylære egenskaber
- udregning af fri energiændringer - del 1
- udregning af fri energiændringer - del 2
Programming
- none
Exercise
- implement LJ potential
- velo-verlet solver
Science
- kraftfelter
- energi minimering
Programming
- advanced numpy
Exercise
- periodic boundary conditions
- conservation of energy
- Instantaneous temperature, pressure
Science
- Radial distributionsfunktion
- Diffusion
Programming
- read/write files
- tips and tricks
Exercise
- Data-analysis