"Quantum Thursdays - Quantum Advantage of Embedding for Quantum Chemistry"

Presented by Yuan Liu, MIT

Thursday, March 16, 2023, 12:00 pm — Videoconference / Virtual Event (see link below)

We extend molecular bootstrap embedding to make it appropriate for implementation on a quantum computer. This enables the solution of the electronic structure problem of a large molecule as an optimization problem for a composite Lagrangian governing fragments of the total system, in such a way that fragment solutions can harness the capabilities of quantum computers. By employing state-of-art quantum subroutines including the quantum SWAP test and quantum amplitude amplification, we show how a quadratic speedup can be obtained over the classical algorithm, in principle. Utilization of quantum computation also allows the algorithm to match — at little additional computational cost — full density matrices at fragment boundaries, instead of being limited to 1-RDMs. Current quantum computers are small, but quantum bootstrap embedding provides a potentially generalizable strategy for harnessing such small machines through quantum fragment matching.

Join Videoconference Add to Calendar

18428  |  INT/EXT  |  Events Calendar


Not all computers/devices will add this event to your calendar automatically.

A calendar event file named "calendar.ics" will be placed in your downloads location. Depending on how your device/computer is configured, you may have to locate this file and double click on it to add the event to your calendar.

Event dates, times, and locations are subject to change. Event details will not be updated automatically once you add this event to your own calendar. Check the Lab's Events Calendar to ensure that you have the latest event information.