GAN dynamics Resource Estimation

This repository provides resource estimation analysis for simulating non-adiabatic dynamics of molecule-metal systems by employing a GAN Hamiltonian and it's algorithm described in the paper.

It contains a fully executable Jupyter notebook that leverages an experimental PennyLane development branch to reproduce all qubit and Toffoli counts reported in the paper.

Follow the installations below:

Installations

# 1. clone the repo
git clone https://github.com/XanaduAI/GAN-dynamics.git
cd GAN-dynamics

# 2. create (optional) virtual environment
python -m venv venv
source venv/bin/activate   # Windows: .\venv\Scripts\activate

# 3. install experimental PennyLane branch
pip install git+https://github.com/PennyLaneAI/pennylane.git@add_resource_templates_core

# 4. install extra dependencies required by pennylane/labs
pip install -r requirements_labs.txt