Welcome! This is a personal collection of beginner-level materials simulation projects using LAMMPS, ATOMK and OVITO. These projects were developed during my self-directed learning journey in molecular dynamics for materials science.
🟡 This work is part of my learning journey in materials simulation. I'm currently exploring and learning. I'm very open to research opportunities, mentorship, collaborations, or support that can help me grow in this space.
Each project simulates different materials systems using molecular dynamics. The simulations involve:
- Generating atomic structures
- Applying deformations or thermal effects
- Visualising atomic behaviour
- Analysing outputs like stress-strain curves and dislocation patterns
| Project | Description |
|---|---|
| Pure Cu | Creating a single crystal atom and finding its lattice parameters |
| Cylinderical alloy Creation | Shows how to create an alloy of a cylinderical shape |
| Al-10%Cu Tensile deformation Simulation | Simulates tensile behavior of Al-10%Cu and visualizes dislocation motion |
| AlMgC Atom Creation | Shows how to create an Alloy of components/atoms |
| Lammps Molecular Simulation on Google Colab | Running Lammps on Google Colab due to system limitations and comparing the process and result with that of the local system |
🔒 A draft version of this project is maintained privately
| Cantor Alloy Study | Explores compositional stability in high-entropy alloys |
More projects will be added as I continue to learn and experiment.
- LAMMPS – Molecular Dynamics Simulator
- OVITO – Visualization
- Python – For basic data post-processing
- ATOMSK (optional) – For Creating Alloys
I'm eager to expand my knowledge and contribute to research in computational materials science. If you are working in this area, have learning resources, or opportunities to collaborate, I’d love to connect.
- 📧 Contacts are on my bio
- 💡 Issues and pull requests are welcome!
- Upload beginner-level LAMMPS projects
- Add README to each simulation project
- Automate plots and analysis with Python
- Learn about ML-enhanced interatomic potentials
- Contribute to open-source materials science projects
This project is licensed under the MIT License.