We introduce a novel open-source software package QForte, a comprehensive development tool for new quantum simulation algorithms. QForte incorporates functionality for handling molecular Hamiltonians, fermionic encoding, ansatz construction, time evolution, and state-vector simulation, requiring only a classical electronic structure package as a dependency. QForte also contains black-box implementations of a wide variety of quantum algorithms including (but not limited to): variational and projective quantum eigensolvers, adaptive eigensolvers, quantum imaginary time evolution, quantum Krylov methods, and quantum phase estimation. We highlight two features of QForte: i) how the Python class structure of QForte enables the facile implementation of new algorithms, and ii) how existing algorithms can be executed in just a few lines of code.
@article{arxiv.2108.04413,
title = {QForte: an efficient state simulator and quantum algorithms library for molecular electronic structure},
author = {Nicholas H. Stair and Francesco A. Evangelista},
journal= {arXiv preprint arXiv:2108.04413},
year = {2021}
}