TJ Quantum Research Lab's Implementation of the ADAPT-VQE Algorithm

Overview

The Adaptive Derivative-Assembled Pseudo-Trotter Variational Quantum Eigensolver (ADAPT-VQE) is a hybrid quantum-classical algorithm that aims to find the ground state of a molecule by finding the smallest eigenvalue of the molecular hamiltonian. This repository is a framework to run the ADAPT-VQE algorithm with custom optimizer, pools, and molecules, as well as generating plots comparing different experiments.
Currently implemented optimizers: SGD, Adam, TrustRegion, Cobyla, BFGS, and LBFGS.
Currently implemented pools: FSD, GSD, QEB, IndividiualTUPS, AdjacentTUPS, MultiTUPS, FullTUPS, UnrestrictedTUPS, UnresIndividualTUPS

Getting Started

To install required python dependencies, run

pip3 install -r requirements.txt

or

nix develop

To run several experiments at a time with multiprocessing, run

python3 -m tj_adapt_vqe.experiments

To run a single experiment, run

python3 -m tj_adapt_vqe.train

To view experiment results before generating plots, run

./scripts/dashboard.sh

After running experiments, to generate plots (in the results directory) run

python3 -m tj_adapt_vqe.post_process