Tatiana A. Bespalova1,2, Oumaya Ladhari1,2, Guido Masella1
Classical simulation of molecular systems is limited by expo- nential scaling, a hurdle quantum algorithms like Variational Quantum Eigensolvers (VQEs) aim to overcome. Although ADAPT-VQE enhances VQEs by dynamically building ansätze, it can remain computationally intensive. This work presents K-ADAPT-VQE, which improves efficiency by adding operators in chunks of K at each iteration. Our results from simulating small molecular systems show that K-ADAPT-VQE substan- tially reduces the total number of VQE iterations and quantum function calls required to achieve chemical accuracy in molecular ground state calculations.
- 1 QPerfect SAS, France
- 2 Université de Strasbourg and CNRS, ISIS (UMR 7006), 67000 Strasbourg, France
