EliousMondal
I am a PhD student in theoretical chemistry at University of Rochester. My research interest is mostly in quantum dynamics.
University of RochesterRochester, USA
Pinned Repositories
1D-Schrodinger_solver
Python and Cython implementation of Numerov and shooting method to solve the Time-independent Schroedinger equation for any 1D system.
1D-TDSE_solver
Python implementation of 1D Time-dependent Schroedinger Equation solver to study the adiabaticity of any 1D system.
Buffons-Needle
Two different python implementations of Buffons-Needle problem
Cubic-Spline-Interpolation
This is just a python implementation for the cubic-spline interpolation method
DFT_Notes
It contains compiled notes to understand the concepts of DFT.
DFT_PIB_Code
Interactive Jupyter Notebooks for learning the fundamentals of Density-Functional Theory (DFT)
mqds
A High-Performance Molecular Quantum Dynamics and Spectroscopy package for general system-bath problems
Percolation-simulation
The following code helps simulation of percolation in 2D lattices and helps determine the natural percolation probability in these systems.
PySpec
Linear and non-linear spectroscopy simulation for model systems using Semiclassical dynamics
SemiClassical-NAMD-python
Semiclassical code for quantum dynamics
EliousMondal's Repositories
EliousMondal/mqds
A High-Performance Molecular Quantum Dynamics and Spectroscopy package for general system-bath problems
EliousMondal/PySpec
Linear and non-linear spectroscopy simulation for model systems using Semiclassical dynamics
EliousMondal/SemiClassical-NAMD-python
Semiclassical code for quantum dynamics
EliousMondal/1D-Schrodinger_solver
Python and Cython implementation of Numerov and shooting method to solve the Time-independent Schroedinger equation for any 1D system.
EliousMondal/1D-TDSE_solver
Python implementation of 1D Time-dependent Schroedinger Equation solver to study the adiabaticity of any 1D system.
EliousMondal/Buffons-Needle
Two different python implementations of Buffons-Needle problem
EliousMondal/Cubic-Spline-Interpolation
This is just a python implementation for the cubic-spline interpolation method
EliousMondal/DFT_Notes
It contains compiled notes to understand the concepts of DFT.
EliousMondal/DFT_PIB_Code
Interactive Jupyter Notebooks for learning the fundamentals of Density-Functional Theory (DFT)
EliousMondal/EliousMondal
EliousMondal/Interpolation
The python implementation of different methods of interpolation
EliousMondal/Least-Square-approximation
This presents a python implementation of the least squares fit algorithm for fitting curves and functions
EliousMondal/Percolation-simulation
The following code helps simulation of percolation in 2D lattices and helps determine the natural percolation probability in these systems.
EliousMondal/Molecular-Dynamics
Python implementation of classical MD simulation of 108 Ar atoms interacting via the Lennard Jones potential
EliousMondal/Monte-Carlo
Python code to carry out Monte carlo simulation of 108 Ar atoms in an NVE ensemble.
EliousMondal/MS-Project
EliousMondal/myTalks
EliousMondal/Number-guess
Just a fun game where the computer guesses a number you are thinking by bisection method.
EliousMondal/PHY626-iiserb
Python implementation of Tight Binding model in GaAs
EliousMondal/PLDM
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.
EliousMondal/PLDM_LSTM
EliousMondal/ProgrammingProjects
C++ Programming Tutorial in Chemistry
EliousMondal/QED_HF
EliousMondal/QuantumDynamicsMethodsSuite
spin diabatic methods
EliousMondal/Runge-kutta-methods-for-ODEs
This sections deals with different runge-kutta methods that can be used to solve ODEs.
EliousMondal/SolidStatePhysics2024
Interactive exercises for Solid State Physics course at Aalto University (2024)
EliousMondal/SQD
EliousMondal/stanford-cs193g-sp2010
This is an archive of materials produced for an introductory class on CUDA programming at Stanford University in 2010