  A family of Variational Quantum Eigensolver (VQE) methods is designed to
maximize the resource of existing noisy intermediate-scale quantum (NISQ)
devices. However, VQE approaches encounter various difficulties in simulating
molecules of industrially relevant sizes, among which the choice of the ansatz
for the molecular wavefunction plays a crucial role. In this work, we push
forward the capabilities of adaptive variational algorithms (ADAPT-VQE) by
demonstrating that the measurement overhead can be significantly reduced via
adding multiple operators at each step while keeping the ansatz compact. Within
the proposed approach, we simulate a set of molecules, O$_2$, CO, and CO$_2$,
participating in the carbon monoxide oxidation processes using the statevector
simulator and compare our findings with the results obtained using VQE-UCCSD
and classical methods. Based on these results, we estimate the energy
characteristics of the chemical reaction. Our results pave the way to the use
of variational approaches for solving practically relevant chemical problems.
