Reaction dynamics on quantum computers

Presenting Author: Andrew Tranter, Tufts University
Contributing Author(s): Peter Love

The study of quantum chemistry is expected to be a principal use of emergent quantum computing devices. The ability of quantum computers to efficiently provide highly accurate electronic structure data could have major consequences where such accuracy is required, such as in the prediction of the kinetics and dynamics of chemical reactions. However, such simulations often require vast numbers of electronic structure calculations, potentially exacerbating resource limitations of small-scale quantum devices. In this talk, we present theoretical results characterising the quantum resources required for the simulation of reactions involving small numbers of light atoms through semi-classical trajectory simulation. We consider how this process can be aided by recent optimisations to variational quantum algorithms. Finally, we report simulation results and discuss experimental progress to this end.

(Session : from 5:00pm - 7:00pm)


SQuInT Chief Organizer
Akimasa Miyake, Associate Professor

SQuInT Co-Organizer
Brian Smith, Associate Professor UO

SQuInT Program Committee
Postdoctoral Fellows:
Markus Allgaier (UO OMQ)
Sayonee Ray (UNM CQuIC)
Pablo Poggi (UNM CQuIC)
Valerian Thiel (UO OMQ)

SQuInT Event Co-Organizers (Oregon)
Jorjie Arden
Holly Lynn

SQuInT Event Administrator (Oregon)
Brandy Todd

SQuInT Administrator (CQuIC)
Gloria Cordova
505 277-1850

SQuInT Founder
Ivan Deutsch, Regents' Professor, CQuIC Director

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