Simulating chemical reactions on quantum computers. This project aims to enable a new capability for simulating practically relevant chemical dynamics and reactivity in regimes where conventional comp

Description

Simulating chemical reactions on quantum computers. This project aims to enable a new capability for simulating practically relevant chemical dynamics and reactivity in regimes where conventional computational chemistry fails. It expects to do so by generating an extensive toolbox of quantum algorithms that would allow quantum computers to carry out otherwise intractable simulations of a wide range of chemical processes using existing quantum devices. As quantum technology matures, these algorithms should enable quantum computers to accelerate computational screening of new chemical processes in a wide range of fields, enabling faster discovery of, for example, improved catalysts, batteries, medicines, fuels, and solar cells.. Scheme: ARC Future Fellowships. Field: 5108 - Quantum Physics. Lead: Prof Ivan Kassal