Quantum computers promise to enable the simulation of complex chemical systems out of reach for nowadays classical machines. The current generation of NISQ hardware is, however, challenging to apply to ab initio simulations due to the high levels of noise during device operation. Improvements on hardware promise to make these simulations possible, either by improvements in fidelities and coherence time, or by making quantum error correction possible. In parallel, research in algorithms to combat noise is actively being developed.<br/><br/>In this talk, I’ll present some work performed by our team on the application of quantum hardware to chemistry problems in areas like drug modeling or materials simulation, with results in both superconducting and ion trap architectures. I will also introduce the Partition Measurement Symmetry Verification (PMSV) method, a technique that exploits molecular symmetry to mitigate noise in NISQ experiments. I will show how PMSV, alone or in combination with other noise mitigation methods, greatly helps in improving results from hardware experiments and pushes us closer to making quantum computers useful for the simulation of chemical systems.

Running quantum hardware experiments on molecular and materials chemistry problems with novel noise mitigation methods

Fall 2022 abstracts, posters, and presentations will launch in mid-September.

ACS Fall 2022

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.