Quantum Algorithms for Accelerated Simulation in Materials Chemistry

Abstract

Quantum computing has the potential to revolutionize computational chemistry by providing algorithms that can model chemical processes ten times quicker than we can today. This report examines the present state of research and development in quantum algorithms for materials chemistry modeling. A thorough investigation is conducted into the benefits and drawbacks of quantum simulation techniques utilized in materials research. This research examines the benefits and drawbacks of applying quantum algorithms on both current and future quantum hardware platforms, including error-corrected quantum computers and noisy intermediate-scale quantum (NISQ) devices. Finally, the authors discussed potential future research directions and challenges in the field of quantum algorithms for quicker models of materials chemistry. These strategies included actions to reduce the likelihood of errors, approaches to improve quantum circuits, and the development of novel quantum methods expressly for use in materials research.