Artificial neural networks applied as molecular wave function solvers

Schrödinger-like simulator of quantum computers

This repository contains necessary lines of code that are required in solving the time-independent Schrodinger equation. It also contains graphs that are made visually appealing, in .pdf format. These plots are acquired from running the lines of codes that are also attached to this repository.

A proof-of-concept implementation of Wave Function Collapse (WFC) in Blockland.

Practical session for the Quantum Dynamics course of the "Atomistic and Multiscale Computational Modelling" Master Degree. Course 2022-2023.

A Rust module for manipulating VASP WAVECAR.

A quantum wave function evolution simulator.

A Hermite function series module.

A React based Sudoku generator using the wavefunction collapse algorithm

Visualizing waves on a string in Python with adjustable initial conditions (defluctance, wave speed, damping, etc. adjustable in the code)

pythonic way

Make interactive scatterplots of atomic orbitals and animate them.

A dive into the quantum world for a software engineer with no prior knowledge of quantum physics

Program for calculating the energies of the eigenstates of hydrogen, as well as writing the specified (radial) wavefunction to a .txt file. This is my solution to a homework problem in computational atomic physics.

Continuous symmetry measures (CSM) of electronic wave function

Visualization with animation and interactive plot

An efficient toolkit for chemical resonance analysis based on quantum chemistry calculations. It implements the quantitative theory of resonance by expansion of the wave function from a DFT/HF calculation in terms of those of the Lewis structures.

Time-evolution of a wavefunction using a Krylov subspace expansion

2D 3D Time independent FDM Schrodinger equation solver for arbitrary shape of well

A wave function tunneling across a barrier