Progress towards practical quantum variational algorithms
- D. Wecker, M. Hastings, M. Troyer
- Physics
- 31 July 2015
The preparation of quantum states using short quantum circuits is one of the most promising near-term applications of small quantum computers, especially if the circuit is short enough and the…
Defining and detecting quantum speedup
- T. F. Rønnow, Zhihui Wang, M. Troyer
- Computer Science, PhysicsScience
- 13 January 2014
Here, it is shown how to define and measure quantum speedup and how to avoid pitfalls that might mask or fake such a speedup, and the subtle nature of the quantum speed up question is illustrated.
Elucidating reaction mechanisms on quantum computers
- M. Reiher, N. Wiebe, K. Svore, D. Wecker, M. Troyer
- Computer Science, PhysicsProceedings of the National Academy of Sciences
- 11 May 2016
This work shows how quantum computers can be used to elucidate the reaction mechanism for biological nitrogen fixation in nitrogenase, by augmenting classical calculation of reaction mechanisms with reliable estimates for relative and activation energies that are beyond the reach of traditional methods.
Evidence for quantum annealing with more than one hundred qubits
- S. Boixo, T. F. Rønnow, M. Troyer
- Physics
- 16 April 2013
Quantum annealing is expected to solve certain optimization problems more efficiently, but there are still open questions regarding the functioning of devices such as D-Wave One. A numerical and…
LIQUi|>: A Software Design Architecture and Domain-Specific Language for Quantum Computing
Languages, compilers, and computer-aided design tools will be essential for scalable quantum computing, which promises an exponential leap in our ability to execute complex tasks. LIQUi|> is a…
Improving quantum algorithms for quantum chemistry
- M. Hastings, D. Wecker, B. Bauer, M. Troyer
- Computer ScienceQuantum information & computation
- 6 March 2014
Improvements to the standard Trotter-Suzuki based algorithms used in the simulation of quantum chemistry on a quantum computer by modifying how Jordan-Wigner transformations are implemented to reduce their cost from linear or logarithmic in the number of orbitals to a constant.
Hybrid quantum-classical approach to correlated materials
- B. Bauer, D. Wecker, A. Millis, M. Hastings, M. Troyer
- Physics, Computer Science
- 13 October 2015
This work shows that by using a hybrid quantum-classical algorithm that incorporates the power of a small quantum computer into a framework of classical embedding algorithms, the electronic structure of complex correlated materials can be efficiently tackled using a quantum computer.
Gate count estimates for performing quantum chemistry on small quantum computers
- D. Wecker, B. Bauer, B. Clark, M. Hastings, M. Troyer
- Physics, Computer Science
- 5 December 2013
This paper focuses on the quantum resources required to find the ground state of a molecule twice as large as what current classical computers can solve exactly and suggests that for quantum computation to become useful for quantum chemistry problems, drastic algorithmic improvements will be needed.
The Trotter step size required for accurate quantum simulation of quantum chemistry
- D. Poulin, M. Hastings, D. Wecker, N. Wiebe, Andrew C. Doberty, M. Troyer
- Computer ScienceQuantum information & computation
- 19 June 2014
This study presents an alternative simulation scheme and shows that it can sometimes outperform existing schemes, but that this possibility depends crucially on the details of the simulated molecule.
On the Chemical Basis of Trotter-Suzuki Errors in Quantum Chemistry Simulation
- R. Babbush, J. McClean, D. Wecker, Alán Aspuru-Guzik, N. Wiebe
- Computer Science
- 29 October 2014
It is argued that chemical properties, such as the maximum nuclear charge in a molecule and the filling fraction of orbitals, can be decisive for determining the cost of a quantum simulation.
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