🎓 Master of Chemistry (University of Burdwan) | 💻 Junior Research Fellow @ IIT (BHU), Varanasi
🔬 Interested in Molecular Dynamics (MD), Density Functional Theory (DFT), Statistical Thermodynamics, Machine Learning in Chemistry
- 🔹 Materials Property from MD Trajectory_CODE → Python code for calculating properties of soft materials from MD trajectories.
- 🔹 Thermo Property vs Timestep → Jupyter notebook to analyze energy, temperature, pressure vs simulation time.
- 🔹 Quantum Espresso Notes → Tutorials and workflows for DFT calculations.
- 📧 Email: amartya.jrf.che25@iitbhu.ac.in
- 🐙 GitHub: ChemSimCraftsman