Quantum Computation for Quantum Chemistry: Status, Challenges, and Prospects - Session 3

Опубликовано 28 июля 2016, 23:18

1:15 – 2:00PM Challenges of Electronic Structure Calculations on Quantum Computers Speaker: Sabre Kais, Purdue University and Qatar Environment and Energy Research Institute Abstract: The exact electronic structure calculations of atoms and molecules on classical computers generally scale exponentially with the size of the system. Using quantum computers, the computational resources required to carry out the simulation are polynomial. I will present three related approaches to electronic structure: The quantum circuit model, the variational model and the adiabatic quantum computing model and discuss the opportunities, open questions and challenges in this field.
2:00 – 2:45PM Fermionic Quantum Simulation: From Jordan-Wigner to Bravyi-Kitaev Speaker: Peter J Love, Haverford College Abstract: Simulation of fermionic systems has been a topic of interest in quantum simulation since Feynman's first papers on the topic. It has been known for some time how to simulate fermionic systems and scalable proposals for electronic structure calculations on quantum computers require some solution to this problem. Current work makes use of the Jordan-Wigner transformation to track phases arising from exchange anti-symmetry. For a single term in a fermionic Hamiltonian on N modes the Jordan wigner transformation requires an overhead of O(N) gates. In this talk I will give an alternative to the Jordan Wigner transformation, originally developed by Bravyi and Kitaev, which reduces this overhead to O(log N). We give the details of this transformation for electronic structure Hamiltonians and give the minimal basis model of the Hydrogen molecule as an example.
2:45 – 3:30PM Error Correction and Architectures for the Simulation of Quantum Materials on a Quantum Computer Speaker: Ken Brown, Georgia Tech Abstract: Quantum computers promise algorithmically faster calculations of molecular properties by performing operations on the whole quantum mechanical state space. The challenge of implementing these algorithms is the development of reliable quantum hardware. In principle, this hardware problem can be solved by fault-tolerant quantum error-correction. Fault-tolerant quantum error-correction comes with additional requirements that affect the total computational resources necessary to calculate the molecular properties. In this talk, we will examine this additional resource cost and propose theoretical and experimental targets for reducing the resource cost.