- This contains C++ code of Importance Sampling Monte Carlo Simulation of Canonical Ensemble(N,V,T).
- We use Lennard Jones Potential with defined sigma and epsilon values and a cutoff radius for an ideal monoatomic gas.
- Minimum image convention and periodic boundary conditions were implemented to improve accuracy for bulk properties and simulate a model depicting real-life systems(representing an infinite system using a finite repeating system).
- Moves were accepted/rejected based on a probabilistic criterion(Boltzmann factor), ensuring that the calculation doesn’t get stuck in any particular local minima and continues to search for the global minima.
- The probability criterion samples unique configurations from the phase space, ensuring that the higher in energy we go, the less likely we are to accept that change, biasing towards the low-energy structures(as they would contribute more strongly to the average properties).
-
Notifications
You must be signed in to change notification settings - Fork 0
amannsonii3/Monte_Carlo_Simultation
Folders and files
Name | Name | Last commit message | Last commit date | |
---|---|---|---|---|
Repository files navigation
About
This contains C++ code of Importance Sampling Monte Carlo Simulation
Resources
Stars
Watchers
Forks
Releases
No releases published
Packages 0
No packages published