Sustaining Innovation Postdocs and Projects

Dr Nicole Holzmann

CCI-Computer Simulation, Astex Pharmaceuticals and Riverlane

Quantum computing is an emerging technology that promises to revolutionise quantum chemistry. Due to the quantum characteristics of the qubits in the quantum processing unit, the QPU, scaling limitations or challenges in the treatment of the multiconfigurational nature of the wavefunction of classical quantum chemistry approaches can be overcome.

This is a joint postdoc project between Astex and the quantum computing software start-up Riverlane and together we are exploring how computer-aided drug design can benefit from quantum computing. While the hardware develops, we are looking at how drugs interact with their targets and how the classical QM/MM approaches can be extended.

Recent publications: