# QForte: an efficient state simulator and quantum algorithms library for molecular electronic structure

@inproceedings{Stair2021QForteAE, title={QForte: an efficient state simulator and quantum algorithms library for molecular electronic structure}, author={Nicholas H Stair and Francesco A. Evangelista}, year={2021} }

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 andβ¦Β

## 5 Citations

### Open Source Variational Quantum Eigensolver Extension of the Quantum Learning Machine (QLM) for Quantum Chemistry

- Physics
- 2022

Quantum Chemistry (QC) is one of the most promising applications of Quantum Computing. However, present quantum processing units (QPUs) are still subject to large errors. Therefore, noisyβ¦

### The Fermionic Quantum Emulator

- PhysicsQuantum
- 2021

The fermionic quantum emulator (FQE) is a collection of protocols for emulating quantum dynamics of fermions efficiently taking advantage of common symmetries present in chemical, materials, andβ¦

### Analytical Ground- and Excited-State Gradients for Molecular Electronic Structure Theory from Hybrid Quantum/Classical Methods

- Physics
- 2021

We develop analytical gradients of groundand excited-state energies with respect to system parameters including the nuclear coordinates for the hybrid quantum/classical multistate contractedβ¦

### Quantum simulation of chiral phase transitions

- PhysicsJournal of High Energy Physics
- 2022

Abstract
The NambuβJona-Lasinio (NJL) model has been widely studied for investigating the chiral phase structure of strongly interacting matter. The study of the thermodynamics of field theoriesβ¦

### Differentiable quantum computational chemistry with PennyLane

- Chemistry
- 2021

X iv :2 11 1. 09 96 7v 2 [ qu an tph ] 3 0 N ov 2 02 1 Differentiable quantum computational chemistry with PennyLane Juan Miguel Arrazola, Soran Jahangiri, Alain Delgado, Jack Ceroni, Josh Izaac,β¦

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