(Sep 23rd) Quantum Computing for Quantum Chemical Systems

Quantum computers present a unique opportunity to model chemical systems by simulating their inherent quantum nature, thus enabling faster and more accurate simulations. While the theory and algorithms to run these simulations on quantum computers have advanced significantly, current quantum computing hardware has difficulty performing these simulations due to limited quantum resources and coherence time. New algorithms such as the Qubit Coupled Cluster along with new measurement protocols, enable molecules larger than triatomic and diatomic molecules to be simulated on current quantum hardware. In this seminar, we will provide an overview of quantum computing, how quantum chemistry simulations are performed on a quantum computer and the algorithms that we developed at OTI Lumionics, that enables us to simulate OLED molecules on currently available quantum hardware. Our work demonstrates the near-term potential for these algorithms to simulate chemical reactions, that could help understand reaction pathways and design new catalysts.