Simulation of Chemical Reactions on a Quantum Computer
Sabre Kais from Purdue University ( @PurdueChemistry ) presents at the QuDits for Quantum Technology workshop, hosted by the Quantum Interactions Theory Group at the Institute for Quantum Computing, University of Waterloo. Learn more: https://quantum-interactions.com/
In this talk, I will present a quantum computing algorithm for the calculation of scattering matrix elements. In this approach, we employ the time-dependent method based on the Møller operator formulation where the S-matrix element between the respective reactant and product channels is determined through the time correlation function of the reactant and product Møller wave packets. We successfully apply our quantum algorithm the colinear hydrogen exchange reaction. Finally, I will discuss how to generalize this algorithm to qudit space.
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