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The recent development of quantum computers has created exciting opportunities for solving complex problems in many fields, including quantum chemistry. With the ability to simulate many-body systems, quantum computing holds great potential for the determination of molecular electronic structures. The currently available quantum hardware, known as NISQ (Noisy Intermediate-Scale Quantum) machines, has limited capabilities but hybrid algorithms that make use of both classical and quantum resources are well-suited for use on NISQ machines.

One such hybrid algorithm, the Variational Quantum Eigensolver (VQE), has demonstrated promising results in finding the energy of small molecules. 

Despite the current limitations of NISQ machines, the potential of quantum computing in the field of quantum chemistry is vast. Fully quantum algorithms are expected to demonstrate quantum advantage in the future, and their application to quantum chemistry problems could lead to groundbreaking results. 

We are aiming to contribute to the development of quantum algorithms for applications in chemistry. Our approach encompasses both the exploration of hybrid algorithms for short-term applications, as well as the study of fully quantum methods for longer-term solutions. We believe that this balanced approach will allow us to take advantage of the current capabilities of NISQ machines, while also preparing for future advancements in the field.

Related Publications 

Reducing unitary coupled cluster circuit depth by classical stochastic amplitude prescreening
MA Filip, N Fitzpatrick, D Muñoz Ramo, AJW Thom – Physical Review Research (2022) 4, 023243
A Stochastic Approach to Unitary Coupled Cluster
M-A Filip, AJW Thom – J Chem Phys (2020) 153, 214106