Purdue University Graduate School
Browse

File(s) under embargo

10

month(s)

22

day(s)

until file(s) become available

COHERENT QUANTUM CONTROL AND QUANTUM SIMULATION OF CHEMICAL REACTIONS

thesis
posted on 2024-03-18, 14:43 authored by Sumit Suresh KaleSumit Suresh Kale

This thesis explores the intersection of quantum interference, entanglement, and quantum algorithms in the context of chemical reactions. The initial exploration delves into the constructive quantum interference in the photoassociation reaction of a 87Rb Bose Einstein condensate (BEC), where a coherent superposition of multiple bare spin states is achieved and it’s impact on photo-association (PA) was studied. Employing a quantum processor, the study illustrates that interferences can function as a resource for coherent control in photochemical reactions, presenting a universally applicable framework relevant to a spectrum of ultracold chemical reactions. The subsequent inquiry scrutinizes the entanglement dynamics between the spin and momentum degrees of freedom in an optically confined BEC of 87Rb atoms, induced by Raman and RF fields. Significantly, this study unveils substantial spin momentum entanglement under specific experimental conditions, indicating potential applications in the realm of quantum information processing. Finally, the third study advances a quantum algorithm for the computation of scattering matrix elements in chemical reactions, adeptly navigating the complexities of quantum interactions. This algorithm, rooted in the time-dependent method and Möller operator formulation, is applied to scenarios such as 1D semi-infinite square well potentials and co-linear hydrogen exchange reactions, showcasing its potential to enhance our comprehension of intricate quantum interactions within chemical systems.

Funding

U.S. Department of Energy (Office of Basic Energy Sciences) under Award No. DESC0019215

History

Degree Type

  • Doctor of Philosophy

Department

  • Chemistry

Campus location

  • West Lafayette

Advisor/Supervisor/Committee Chair

Sabre Kais

Additional Committee Member 2

Lyudmila Slipchenko

Additional Committee Member 3

Jonathan Hood

Additional Committee Member 4

Ming Chen

Usage metrics

    Licence

    Exports

    RefWorks
    BibTeX
    Ref. manager
    Endnote
    DataCite
    NLM
    DC