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Towards practical quantum simulation of chemical systems

November 10, 2014 - 11:00am
Alan Aspuru-Guzik

In this talk, I will survey our group's efforts towards developing algorithms and setups for the simulation of chemical systems. I will discuss digital approaches that rely on time evolution using the gate model of quantum computation. Recent progress in the field this year has provided much better estimates of the scaling of the method, and hence the number of gates required to carry out  simulation with chemical accuracy. I will survey this work and provide an update on our latest progress.  I will also discuss a general approach that we call the variational quantum eigensolver (VQE). The VQE approach (which can be rendered digitally or analogically) allows for the exploration of wave function ansazte by means of quantum devices. In addition, I will discuss the adiabatic approach to quantum chemistry. If time permits, I will discuss our ideas for the simulation of open quantum systems such as photosynthetic complexes and excitons in organic materials by means of open quantum systems simulators.

Host: Luis Orozco, James Williams

CSS 2400
College Park, MD 20742