There don't seem to be any direct code examples of this using the D-Wave systems just yet, but I reached out to my colleagues and they were kind enough to provide a wealth of resources to help get you started.
The VQE (Variational Quantum Eigensolver) is a tool used in modeling molecules in quantum chemistry and has been used to model hydrogen molecules in ground state calculations.
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Hello,
There don't seem to be any direct code examples of this using the D-Wave systems just yet, but I reached out to my colleagues and they were kind enough to provide a wealth of resources to help get you started.
The VQE (Variational Quantum Eigensolver) is a tool used in modeling molecules in quantum chemistry and has been used to model hydrogen molecules in ground state calculations.
This paper is great for an overview of VQE:
[2111.05176] The Variational Quantum Eigensolver: a review of methods and best practices (arxiv.org)
This video is great for helping understand how simulating molecules using VQE works:
Simulating molecules using VQE - YouTube
As well as this blog post:
Musty Thoughts
This paper also goes into detail about how to use VQE for hydrogen ground state calculations:
Phys. Rev. X 6, 031007 (2016) - Scalable Quantum Simulation of Molecular Energies (aps.org)
This blog post goes through a working example of VQE and applies it to H2:
Variational Quantum Eigensolver (VQE) Example · Joshua Goings
The documentation for Microsoft's quantum chemistry library is helpful in getting from high level concepts to code:
Introduction to the Quantum Chemistry Library - Azure Quantum | Microsoft Learn
This paper provides a great overview of quantum chemistry and contains concepts to help understand how ground state energy calculation is approached:
[1812.09976] Quantum Chemistry in the Age of Quantum Computing (arxiv.org)
Hopefully this helps point you in the right direction. Please let us know if you have any questions, and please keep us up to date with your progress!
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