The purpose of this project is exploring arrangements of atoms in 3d-space, in order to find the optimal structure that minimizes the dynamic energy of the atoms' cluster defined by Lennard-Jones. In an effort to achive that, we utilized various Genetic Algorithms. Μore specifically the Genetic Algorithms used are:
- Genetic algorithm with binary representation and roulette wheel selection.
- Genetic algorithm with binary representation and tournament selection.
- Genetic algorithm with real representation.
- Particle Swarm Optimization with global best model.
- Particle Swarm Optimization with local best model.
Finally we present the expirimental results, that shows that the Genetic algorithm with real representation yieds the best results.
- Numpy: The fundamental package for scientific computing with Python programming language.
- Pandas: Data analysis and manipulation tool built on top of the Python programming language.
- Matplotlib: Matplotlib is a comprehensive library for creating static, animated, and interactive visualizations in Python.