Keio University Human Biology-Microbiome-Quantum Research Center (WPI-Bio2Q) held a seminar as follows;

Date and Time： 15:00-16:00,  February 25

Venue：JKiC 1F, Shinanomachi Campus, Keio University

Speaker：Andrew Wray, PhD
International Collaborator, Bio2Q
Quantum Algorithm Researcher, Sygaldry Technologies
Quantum algorithm research and materials physics, USA

Title：Can near term quantum hardware advance molecular simulation?

Abstract：
Accurately simulating the correlated electronic structure of large biomolecules remains beyond the reach of classical computers. Recent hybrid quantum-classical algorithms in the sample-based quantum diagonalization (SQD) family offer a promising path forward by combining noisy quantum hardware with classical configuration interaction methods. This talk introduces the unitary cluster Jastrow (UCJ/LUCJ) formulation of SQD, highlighting recent milestones such as the fragmented modeling of a 300-atom miniprotein. I will use simulation data from a variable-length cuprate chain molecule to explore the key question of how the technique may be expected to scale to larger systems such as (non-fragmented) common biomolecules. The talk will also include a broader introduction to quantum algorithm development, contextualizing the robustness to error and input/output efficiencies that make these SQD formulations attractive.