An Associate Professor at the University of Sydney, Ivan has received a grant of AU$1,114,292 to enable a new capability for simulating practically relevant chemical dynamics and reactivity in regimes where conventional computational chemistry fails.
The project 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.
“I’m hoping to open new possibilities for simulating complex chemical dynamics and reactivity using quantum computers,” Ivan said.
“This could allow the limitations of conventional computational chemistry to be overcome.”