EliousMondal
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atom-dft2 Public
Forked from yuchenxi2000/atom-dft2Density functional theory of atoms
Python GNU General Public License v3.0 UpdatedFeb 20, 2025 -
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PLDM Public
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…
Python UpdatedSep 30, 2024 -
Lindblad-MASH Public
Forked from ericrkoessler/Lindblad-MASHMulti-state mapping approach to surface hopping method with Lindblad decay at the wavefunction level
Python UpdatedSep 13, 2024 -
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PySpec Public
Linear and non-linear spectroscopy simulation for model systems using Semiclassical dynamics
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SolidStatePhysics2024 Public
Forked from joselado/SolidStatePhysics2024Interactive exercises for Solid State Physics course at Aalto University (2024)
Jupyter Notebook UpdatedMay 20, 2024 -
DFT_PIB_Code Public
Forked from tjz21/DFT_PIB_CodeInteractive Jupyter Notebooks for learning the fundamentals of Density-Functional Theory (DFT)
Jupyter Notebook MIT License UpdatedDec 28, 2023 -
SQD Public
Forked from bradenmweight/SQDPython GNU General Public License v3.0 UpdatedAug 30, 2023 -
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ProgrammingProjects Public
Forked from CrawfordGroup/ProgrammingProjectsC++ Programming Tutorial in Chemistry
UpdatedDec 30, 2022 -
QuantumDynamicsMethodsSuite Public
Forked from bradenmweight/QuantumDynamicsMethodsSuitespin diabatic methods
Python UpdatedSep 9, 2022 -
Cubic-Spline-Interpolation Public
This is just a python implementation for the cubic-spline interpolation method
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stanford-cs193g-sp2010 Public
Forked from jaredhoberock/stanford-cs193g-sp2010This is an archive of materials produced for an introductory class on CUDA programming at Stanford University in 2010
C++ UpdatedJun 24, 2022 -
SemiClassical-NAMD-python Public
Forked from mandalgrouptamu/SemiClassical-NAMDSemiclassical code for quantum dynamics
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1D-Schrodinger_solver Public
Python and Cython implementation of Numerov and shooting method to solve the Time-independent Schroedinger equation for any 1D system.
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DFT_Notes Public
Forked from MansiBhati/DFT_NotesIt contains compiled notes to understand the concepts of DFT.
UpdatedJul 30, 2020 -
1D-TDSE_solver Public
Python implementation of 1D Time-dependent Schroedinger Equation solver to study the adiabaticity of any 1D system.
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Buffons-Needle Public
Two different python implementations of Buffons-Needle problem
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Monte-Carlo Public
Python code to carry out Monte carlo simulation of 108 Ar atoms in an NVE ensemble.
Python UpdatedJun 8, 2020 -
Molecular-Dynamics Public
Python implementation of classical MD simulation of 108 Ar atoms interacting via the Lennard Jones potential
Python UpdatedJun 8, 2020 -
Interpolation Public
The python implementation of different methods of interpolation
Python UpdatedJun 6, 2020 -
Number-guess Public
Just a fun game where the computer guesses a number you are thinking by bisection method.
Python UpdatedJun 6, 2020 -
Runge-kutta-methods-for-ODEs Public
This sections deals with different runge-kutta methods that can be used to solve ODEs.
Python UpdatedJun 6, 2020 -
Percolation-simulation Public
The following code helps simulation of percolation in 2D lattices and helps determine the natural percolation probability in these systems.
Python UpdatedJun 6, 2020 -
Least-Square-approximation Public
This presents a python implementation of the least squares fit algorithm for fitting curves and functions
Python UpdatedJun 6, 2020 -
PHY626-iiserb Public
Forked from pukaishubho/PHY626-iiserbPython implementation of Tight Binding model in GaAs
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mqds Public
Forked from jprov410/mqdsA High-Performance Molecular Quantum Dynamics and Spectroscopy package for general system-bath problems