XanaduAI / QHack2022

QHack—The one-of-a-kind quantum computing hackathon
https://qhack.ai
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[ENTRY] Qamuy excited state calculation benchmark #140

Open Raijeku opened 2 years ago

Raijeku commented 2 years ago

Team Name:

David Quiroga

Project Description:

Variational quantum algorithms have enabled the use of quantum devices in the noisy intermediate-scale quantum (NISQ) era for a wide variety of use cases, showing great flexibility in the types of problems that can be solved. From finance to chemistry and machine learning, variational quantum algorithms make it possible to overcome the noise present in quantum computers to obtain useful results. In general, problems that can be formulated as a quadratic unconstrained binary optimization (QUBO) problem benefit from these algorithms.

The main goal of this project is to explore the problem of finding the excited state energy of the H2 molecule using Qamuy, a quantum chemistry software that provides solutions for chemistry problems, and to apply a benchmark to find the best combination of ansatzes and optimizers for the fastest solution. For this, we use the variational quantum deflation (VQD) solver as the solver which enables finding both the ground state and the excited state energy of a Hamiltonian, contrary to the variational quantum eigensolver that can only find the ground state energy.

Presentation:

https://github.com/Raijeku/qhack2022

Source code:

https://github.com/Raijeku/qhack2022

Which challenges/prizes would you like to submit your project for?

Quantum Chemistry Challenge