Quantum simulation of conical intersections using trapped ions

Whitlow, Jacob; Jia, Zhubing; Wang, Ye; Fang, Chao; Kim, Jungsang; Brown, Kenneth R.

doi:10.1038/s41557-023-01303-0

Quantum simulation of conical intersections using trapped ions

Journal Article · Mon Aug 28 00:00:00 EDT 2023 · Nature Chemistry

DOI:https://doi.org/10.1038/s41557-023-01303-0· OSTI ID:2280976

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Duke Univ., Durham, NC (United States); Duke University
Duke Univ., Durham, NC (United States); Univ. of Illinois at Urbana-Champaign, IL (United States)
Duke Univ., Durham, NC (United States); Univ. of Science and Technology of China, Hefei (China)
Duke Univ., Durham, NC (United States)
Duke Univ., Durham, NC (United States); IonQ, Inc., College Park, MD (United States)

Conical intersections often control the reaction products of photochemical processes and occur when two electronic potential energy surfaces intersect. Theory predicts that the conical intersection will result in a geometric phase for a wavepacket on the ground potential energy surface, and although conical intersections have been observed experimentally, the geometric phase has not been directly observed in a molecular system. Herein we use a trapped atomic ion system to perform a quantum simulation of a conical intersection. The ion’s internal state serves as the electronic state, and the motion of the atomic nuclei is encoded into the motion of the ions. The simulated electronic potential is constructed by applying state-dependent optical forces to the ion. We experimentally observe a clear manifestation of the geometric phase using adiabatic state preparation followed by motional state measurement. Our experiment shows the advantage of combining spin and motion degrees for quantum simulation of chemical reactions.

View Accepted Manuscript (DOE)

Research Organization:: Duke Univ., Durham, NC (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); US Army Research Office (ARO); USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR); National Science Foundation (NSF)

Grant/Contract Number:: SC0019449

OSTI ID:: 2280976

Journal Information:: Nature Chemistry, Journal Name: Nature Chemistry Journal Issue: 11 Vol. 15; ISSN 1755-4330

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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