Qforte is an open-source quantum computer simulator and algorithms library for molecular simulation. It includes implementations of the following algorithms: quantum phase estimation (QPE), multireference selected quantum Krylov (MRSQK), quantum imaginary time evolution (QITE), ADAPT variational quantum eigensolver (VQE), and unitary coupled cluster singles and doubles VQE (UCCSD-VQE).
conda create -n qforte_env python=3.7
conda activate qforte_envconda install psi4 openfermion openfermionpsi4 -c psi4git clone https://github.com/evangelistalab/qforte.git
cd qforte
python setup.py developTo supply custom arguments to cmake for installation, you can either edit setup.py or CMakeLists.txt.
python setup.py testimport qforte
# Construct a Bell state.
computer = qforte.QuantumComputer(2)
computer.apply_gate(qforte.gate('H',0))
computer.apply_gate(qforte.gate('cX',1,0))
# Run quantum phase estimation on H2.
from qforte.qpea.qpe import QPE
from qforte.system import system_factory
H2geom = [('H', (0., 0., 0.)), ('H', (0., 0., 1.50))]
H2ref = [1,1,0,0]
H2mol = system_factory(mol_geometry=H2geom)
alg = QPE(H2mol, H2ref, trotter_number=2)
alg.run(t = 0.4,
nruns = 100,
success_prob = 0.5,
num_precise_bits = 8)
Egs = alg.get_gs_energy()Copyright (c) 2019, The Evangelista Lab
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