⚛️ A module for solving and visualizing the Schrödinger equation.

Fast C++ and Python library for state-vector simulation of quantum circuits.

ANI-1 neural net potential with python interface (ASE)

A python script that solves the one dimensional time-independent Schrodinger equation for bound states. The script uses a Numerov method to solve the differential equation and displays the desired energy levels and a figure with an approximate wave function for each of these energy levels.

DeepErwin is a python 3.8+ package that implements and optimizes JAX 2.x wave function models for numerical solutions to the multi-electron Schrödinger equation. DeepErwin supports weight-sharing when optimizing wave functions for multiple nuclear geometries and the usage of pre-trained neural network weights to accelerate optimization.

Hydrogen wavefunction modeling and electron probability density plots

Introduction to Quantum Mechanics for Chemists

Une simulation de l'évolution d'un paquet d'onde gaussien

Solving Schrodinger Equation Numerically

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

2D Time independent Schroedinger equation solver

This repository contains Python 3 scripts for simulating the passage of a 2D Gaussian wave packet through a double slit. For this, the 2D Schrödinger equation is solved using the Crank-Nicolson numerical method.

Schrodinger-Poisson solver in 1D demonstrator

A Schrödinger-Poisson solver for 2D materials with 1D interfaces (wires)

Artifitial Neural Networks for Solving Ordinary and Partial Differential Equations, in this case, Schrodinger's Equation for One Particle in a 1-Dimentional Box

Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation

A python script that displays an animation of an electron propagation and its interaction with arbitrary potential. The program solves the two-dimensional time-dependant Schrödinger equation using Crank-Nicolson algorithm.

1D Time independent Schroedinger equation solver

3D Time independent Schroedinger equation solver

Augmented Plane Waves (both APW and LAPW), band structure computation

Solving the one-dimensional time-dependent Schrodinger Equation for different potentials using the Crank-Nicolson method and analyzing the wavefunctions.

Analytical solution to the Time-Dependent Schrodinger equation for a particle in an infinite square well

Non-linear Schrodinger Equation Solver

1D Schroedinger solver in semiconductor with effective mass

Signal and image denoising using quantum adaptive transformation.

1D Schroedinger solver in semiconductor with non-parabolicity

Advanced Fiber-optic communication systems simulator via split-step Fourier method

1d time dependent Schrodinger equation solver, using the finite difference method.

Python code to calculate and display the radial wavefunction and associated probabilities of Hydrogen. This is a two particle system so can be solved exactly.

Quantum Scattering on a Lennard-Jones potential, cross-section computation.