Working with Alexander Mayorov from Cambridge and Xiao Shan from Oxford Chemistry, we’ve looked into the prospects for modelling molecular vibrations using a quantum computer. Vibrations are are the core of many important phenomena such as spectral properties, energy transfer, and molecular bonding — but they are hard to model and understand using classical (i.e. conventional) computers as a tool. We hope that it will be possible to instead use a quantum computer — even a near term, noisy quantum computer that makes mistakes.
The paper is available over on the arxiv preprint server.
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