TY - JOUR
T1 - How a Quantum Computer Could Solve a Microkinetic Model
AU - Walker, Eric A.
AU - Pallathadka, Shreyas Addamane
N1 - Publisher Copyright:
©
PY - 2021/1/14
Y1 - 2021/1/14
N2 - A CO oxidation microkinetic model is set up for a quantum circuit. The CO oxidation microkinetic model, and microkinetic models in general, exhibit an advantage of not requiring an encoding step because of being a subclass of systems of equations. The microkinetic model is cast as a nonlinear set of equations at first. Then, a linearizing approximation is made, and the resulting linear set of equations may be iterated to converge to the solution to the nonlinear set of equations. In this CO oxidation, the linearized set of equations is realized to chemical accuracy with one iteration. Current limitations in executing the quantum circuit to obtain the solution are discussed.
AB - A CO oxidation microkinetic model is set up for a quantum circuit. The CO oxidation microkinetic model, and microkinetic models in general, exhibit an advantage of not requiring an encoding step because of being a subclass of systems of equations. The microkinetic model is cast as a nonlinear set of equations at first. Then, a linearizing approximation is made, and the resulting linear set of equations may be iterated to converge to the solution to the nonlinear set of equations. In this CO oxidation, the linearized set of equations is realized to chemical accuracy with one iteration. Current limitations in executing the quantum circuit to obtain the solution are discussed.
UR - https://www.scopus.com/pages/publications/85100069716
U2 - 10.1021/acs.jpclett.0c03363
DO - 10.1021/acs.jpclett.0c03363
M3 - Article
C2 - 33382628
AN - SCOPUS:85100069716
SN - 1948-7185
VL - 12
SP - 592
EP - 597
JO - Journal of Physical Chemistry Letters
JF - Journal of Physical Chemistry Letters
IS - 1
ER -