Shubhojit Banerjee's Projects
:chart_with_upwards_trend: Adaptive: parallel active learning of mathematical functions
Theoritical model to investiget the barrier hight of invertion of ammonia.
This contains md & mc code
It contains compiled notes to understand the concepts of DFT.
Computational Continuum Transport Phenomena
Python package that automatically detects and analyzes reactions in molecular dynamics trajectories.
Code For Tight Binding model
Python scripts to postprocess Quantum Espresso calclations.