Abstract
Calculating observable properties of chemical systems is often classically intractable and widely viewed as a promising application of quantum information processing. Here, we introduce a new framework for solving generic quantum chemical dynamics problems using quantum logic. We experimentally demonstrate a proof-of-principle instance of our method using the QSCOUT ion-trap quantum computer, where we experimentally drive the ion-trap system to emulate the quantum wavepacket dynamics corresponding to the shared-proton within an anharmonic hydrogen bonded system. Following the experimental creation and propagation of the shared-proton wavepacket on the ion-trap, we extract measurement observables such as its time-dependent spatial projection and its characteristic vibrational frequencies to spectroscopic accuracy (3.3 cm-1 wavenumbers, corresponding to >99.9% fidelity). Our approach introduces a new paradigm for studying the chemical dynamics and vibrational spectra of molecules and opens the possibility to describe the behavior of complex molecular processes with unprecedented accuracy.
| Original language | English |
|---|---|
| Pages (from-to) | 7256-7263 |
| Number of pages | 8 |
| Journal | Journal of Physical Chemistry Letters |
| Volume | 14 |
| Issue number | 32 |
| DOIs | |
| State | Published - Aug 17 2023 |
| Externally published | Yes |
Funding
The work of P.R., D.S., M.A.L-R., A.D., J.M.S., A.S., and S.S.I is supported by the U.S. National Science Foundation under award OMA-1936353. The QSCOUT open access testbed is funded by the U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research Quantum Testbed Program. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525. This paper describes objective technical results and analysis. Any subjective views or opinions that might be expressed in the paper do not necessarily represent the views of the U.S. Department of Energy or the United States Government.