Welcome to my Molecular Dynamics (MD) learning repository! This project serves as a structured guide as I follow various tutorials to deepen my MD knowledge, build essential skills, and tackle practical simulations. The aim is to develop a solid foundation in MD techniques, model setups, and analysis.
- Tutorial-Based Learning: Each folder contains a new tutorial I’ve worked through, with explanations, scripts, and notes.
- Independent Practice: Includes exercises to apply and reinforce learned techniques.
- Simulation Projects: Real-world applications where I implement MD simulations using LAMMPS, Python, and C++.
Each tutorial is standalone, so feel free to explore folders in any order. My notes and code comments document key concepts and findings to create a cohesive learning path.
- Build a strong foundation in molecular dynamics.
- Develop hands-on skills in LAMMPS and simulation programming.
- Apply MD knowledge to real-world material science problems.
Performing a binary fluid simulation using LAMMPS. The system is a Lennard-Jones fluid composed of neutral particles with two different diameters. It is contained within a cubic box with perioding boundary conditions.
