ADAPT VQE for Molecular Simulations

[Brogis1]

Abstract

VQE is the quantum algorithm that is commonly used in the electronic structure simulations on the quantum computer. Usually during the whole algorithm the circuit that constructs the wavefunction of a given molecule remains the same. In ADAPT VQE, the quantum circuit is constructed step by step starting with a single circuit A, then the whole VQE runs, then you add B running a VQE with BA circuit and so on with C, D until the convergence. We want to implement this for UCCSD circuit in Qiskit Aqua as in https://arxiv.org/abs/1812.11173

Prerequisites:

• Basic knowledge of quantum information.
• Interest for quantum chemistry.
• Being not afraid of Python (all coding in this language)

Members

• Bruno Murta @bm442
• Ian @igouldimperial
• Connor
• Max @mrossinek
• Arseny @arsenyko
• IBM Coach: @moellerl , @Brogis1

Deliverable

QIskit Aqua Module

GitHub repo

https://github.com/mrossinek/qiskit-aqua/tree/adapt-vqe-stable

[igouldimperial]

Hi, I have a strong interest/background in QM chemistry but it has been a while since I did Couple Cluster theory. Would be good to talk to see if I could be of help in this project.

[ghost]

Please add Bruno Murta (github handle: bm442, email: bpmurta@gmail.com) to this project. Thanks.

[Brogis1]

All fine by me, please join, great to have your help ! :)

[Brogis1]

Please come to us to the Bond bar just to discuss quickly ! :)