QForte: an efficient state simulator and quantum algorithms library for molecular electronic structure
arXiv:2108.04413
Abstract
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.
References in corpus (29)
- Quantum Computing in the NISQ era and beyond
- A variational eigenvalue solver on a quantum processor
- Quantum computational chemistry
- Evaluating analytic gradients on quantum hardware
- An adaptive variational algorithm for exact molecular simulations on a quantum computer
- Fermionic quantum computation
- A quantum algorithm providing exponential speed increase for finding eigenvalues and eigenvectors
- Simulation of Many-Body Fermi Systems on a Universal Quantum Computer
- Towards Practical Quantum Variational Algorithms
- Determining eigenstates and thermal states on a quantum computer using quantum imaginary time evolution
- Hybrid Quantum-Classical Hierarchy for Mitigation of Decoherence and Determination of Excited States
- Robust determination of molecular spectra on a quantum processor
- Generalized Unitary Coupled Cluster Wavefunctions for Quantum Computation
- ProjectQ: An Open Source Software Framework for Quantum Computing
- Quantum Approximate Optimization Algorithm for MaxCut: A Fermionic View
- Strawberry Fields: A Software Platform for Photonic Quantum Computing
- Quantum Implementation of Unitary Coupled Cluster for Simulating Molecular Electronic Structure
- Efficient and Noise Resilient Measurements for Quantum Chemistry on Near-Term Quantum Computers
- Concrete Categorical Model of a Quantum Circuit Description Language with Measurement
- PennyLane: Automatic differentiation of hybrid quantum-classical computations
- From transistor to trapped-ion computers for quantum chemistry
- Tapering off qubits to simulate fermionic Hamiltonians
- Can single-reference coupled cluster theory describe static correlation?
- qHiPSTER: The Quantum High Performance Software Testing Environment
- Operator Locality in Quantum Simulation of Fermionic Models
- The Variational Power of Quantum Circuit Tensor Networks
- Real time evolution for ultracompact Hamiltonian eigenstates on quantum hardware
- Quantum Filter Diagonalization: Quantum Eigendecomposition without Full Quantum Phase Estimation
- Performance of QAOA on Typical Instances of Constraint Satisfaction Problems with Bounded Degree