TalentQ Seminar – Javier Robledo, Research Scientist at IBM

Title: Chemistry Beyond Exact Solutions on a Quantum-Centric Supercomputer

Abstract: A universal quantum computer can be used as a simulator capable of predicting properties of diverse quantum systems. Electronic structure problems in chemistry offer practical use cases around the hundred-qubit mark. This appears promising since current quantum processors have reached these sizes. However, mapping these use cases onto quantum computers yields deep circuits, and for for pre-fault-tolerant quantum processors, the large number of measurements to estimate molecular energies leads to prohibitive runtimes. As a result, realistic chemistry is out of reach of current quantum computers in isolation. A natural question is whether classical distributed computation can relieve quantum processors from parsing all but a core, intrinsically quantum component of a chemistry workflow. In this seminar, I will discuss the incorporation of quantum computations of chemistry in a quantum-centric supercomputing architecture, using up to 6400 nodes of the supercomputer Fugaku to assist a Heron superconducting quantum processor. We simulate the N2 triple bond breaking in a correlation-consistent cc-pVDZ basis set, and the active-space electronic structure of [2Fe–2S] and [4Fe–4S] clusters, using 58, 45 and 77 qubits respectively, with quantum circuits of up to 10570 (3590 2-qubit) quantum gates.

Register: https://events.teams.microsoft.com/event/62638123-b208-4684-bec3-05953fc09253@8f0d452c-b7a4-4964-b810-8c397374477b