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Quantum Parallelizing the VQE for Quantum Chemistry

Open henrik-dreyer opened this issue 5 years ago • 6 comments

Abstract

It is presumably easier to build ten thousand quantum computers with one hundred qubits than building one quntum computer with a million qubits. Fortunately, the leading candidate for Quantum Chemistry calculations, the Variational Quantum Eigensolver (VQE), could profit massively from this kind of parallelization. In this project, we will solve some easy molecules faster using parallelization.

Description

Quantum Phase Estimation has been historically the first algorithm proposed to compute ground state energies. The long coherence time required, however, put this algorithm out of reach for near-term Quantum devices. The Variational Quantum Eigensolver trades one long coherent evolution for many shorter bits that can individually be run on quantum chips. If they are run on a single processor, these runs have to be performed sequentially, leading to runtimes that way exceed Phase Estimation. Since these short evolution consist of preparing and measuring the same state over and over again, these circuits can be run completely independently. In the limiting case of optimal parallelization, even large molecules can be solved with around 100 qubits. We are going to build a parallelization module for the Qiskit stack. Since currently we don't have access to many quantum computers, we will parallelize the VQE on a single chip. Doing so will hopefully give us interesting information about the amount of crosstalk between different quantum registers on current IBM devices.

Members

  • Henrik Dreyer
  • Elisa Bäumer
  • Irfan Khan
  • Anne-Catherine de la Hamette
  • Johannes Weidenfeller

IBM Coach:

  • Lukas Möller
  • Guglielmo Mazzola

Deliverable

GitHub repo

https://github.com/henrik-dreyer/ParallelBond

henrik-dreyer avatar Sep 11 '19 13:09 henrik-dreyer

Hi ! I would be up for it as I was digging into the VQE class for chemistry project. So let me know if I can help you out in any way ! ;)

Brogis1 avatar Sep 12 '19 07:09 Brogis1

Hey! Yes, that sounds very helpful actually! Thank you :-)

henrik-dreyer avatar Sep 12 '19 07:09 henrik-dreyer

Cool, thanks ! I am looking forward to it ... also 2 others from my team wanted to join. Hope you don't mind :)

Brogis1 avatar Sep 12 '19 07:09 Brogis1

Hey! I am also interested in this one! Do you still have a spot in the team?

mrossinek avatar Sep 13 '19 07:09 mrossinek

Hi! I have a good background in Quantum Chemistry but basic skills in Quantum Computing. Might I be helpful for the project?

AlbertoBaiardi avatar Sep 13 '19 07:09 AlbertoBaiardi

Interested!!

JansenZZ avatar Sep 13 '19 08:09 JansenZZ