Quantum Computation for Quantum Chemistry: Status, Challenges, and Prospects - Session 2

Speaker  Jarrod McClean and Bryan Clark

Host  Michael Freedman, Krysta Svore

Affiliation  Harvard University

Duration  01:33:23

Date recorded  12 November 2012

10:45 – 11:30 AM
The Blurring Interface Between Quantum Computing and Quantum Chemistry
Speaker: Jarrod McClean, Harvard University
Quantum computing offers promising new solutions to problems faced in quantum chemistry. In this discussion, I will introduce some of the methods used in classical electronic structure calculations and their limitations. I will then show how one can use a quantum computer to lift many of these limitations and perform exact computations efficiently for many instances. This will be followed by recent advances in the Aspuru-Guzik group in this area, including a new algorithm implemented on a quantum photonic device which maximizes the utilization of quantum resources through co-design.

Jarrod McClean is a PhD student in Chemical Physics at Harvard University in the research group of Alan Aspuru-Guzik studying the interface between quantum chemistry and quantum computing. He is a Computational Science Graduate Fellow paid by the Department of Energy for the development and study of high performance computing in science.

11:30 AM – 12:15 PM
Quantum Monte Carlo Approaches to Electronic Structure
Speaker: Bryan Clark, Microsoft Station Q
Quantum Monte Carlo is the de-facto standard for accurate calculations of electronic structure problems for medium to large physical systems. In this talk, I will discuss the canonical approaches for computing physical properties in QMC. This will include approximate but nonetheless accurate methods such as fixed-node and auxiliary field QMC as well as an exploration of the variational ansatz required as input to this method. Alternatively, the state of the art for exact methods will be discussed. The computational complexity of these different approaches will be outlined and their possibilities for being improved on a quantum computer will be mentioned. Finally, we will see a number of electronic structure applications ranging from molecules to extended systems.

Bryan Clark is currently a postdoc at Station Q who spends his time using numerical approaches to better understand physical systems. Previously, he held a position as a postdoctoral fellow at Princeton University. He received his PhD from University of Illinois at Urbana Champaign in physics and his BS from CMU in physics and computer science. He spends his spare time chasing around after his 11 month old daughter.

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> Quantum Computation for Quantum Chemistry: Status, Challenges, and Prospects - Session 2