Overview

QForte is an open-source suite of state-of-the-art quantum algorithms library for electronic structure. All algorithms rely on an in-house state vector simulator written in C++ and exposed in Python via Pybind11.

Capabilities

In general, QForte is composed several distinct algorithmic catagories, each with their own more specific algorithm implementations:

1. Variational quantum eigensolvers (VQE)

   1. Trotterized (disentangled) Unitary coupled cluster VQE (UCC-VQE)

   2. Adaptive derivative assembled pseudo-Trotter VQE (ADAPT-VQE)

2. Projective quantum eigensolvers (PQE)

   1. Trotterized (disentangled) Unitary coupled cluster PQE (UCC-PQE)

   2. Selected PQE (SPQE)

3. Quantum subspace diagonalization (QSD)

   1. Quantum Krylov (QK)

   2. Multireference selected quantum Krylov (MRSQK)

4. Imagniary time evolution (ITE)

   1. Quantum imaginary time evolution (QITE)

   2. Quantum imaginary time Lanczos (QLanczos)

5. Quantum phase estimation (QPE)

   1. Canonical quantum phase estimation

Dependencies

In order to run Forte, the following are required:

1. A Recent version of Psi4

2. CMake version 3.0 or higher