Elious Mondal's Projects
Python and Cython implementation of Numerov and shooting method to solve the Time-independent Schroedinger equation for any 1D system.
Python implementation of 1D Time-dependent Schroedinger Equation solver to study the adiabaticity of any 1D system.
Two different python implementations of Buffons-Needle problem
This is just a python implementation for the cubic-spline interpolation method
It contains compiled notes to understand the concepts of DFT.
Interactive Jupyter Notebooks for learning the fundamentals of Density-Functional Theory (DFT)
The python implementation of different methods of interpolation
This presents a python implementation of the least squares fit algorithm for fitting curves and functions
Python implementation of classical MD simulation of 108 Ar atoms interacting via the Lennard Jones potential
Python code to carry out Monte carlo simulation of 108 Ar atoms in an NVE ensemble.
A High-Performance Molecular Quantum Dynamics and Spectroscopy package for general system-bath problems
Just a fun game where the computer guesses a number you are thinking by bisection method.
The following code helps simulation of percolation in 2D lattices and helps determine the natural percolation probability in these systems.
Python implementation of Tight Binding model in GaAs
A serial, parallel and vectorised version of PLDM dynamics has been implemented. The serial version uses numba to get speedup of a compiled language. The parallel version uses mpi4py to utilise the multiprocessing capability of HPC clusters. The vectorised version uses a wide variety of GPU libraries (cuda, cupy, pytorch) to highly vectorise PLDM.
C++ Programming Tutorial in Chemistry
Linear and non-linear spectroscopy simulation for model systems using Semiclassical dynamics
spin diabatic methods
This sections deals with different runge-kutta methods that can be used to solve ODEs.
Semiclassical code for quantum dynamics
Interactive exercises for Solid State Physics course at Aalto University (2024)
This is an archive of materials produced for an introductory class on CUDA programming at Stanford University in 2010