Now showing items 1-9 of 9

    • Algorithms Bridging Quantum Computation and Chemistry 

      McClean, Jarrod Ryan (2015-05-13)
      The design of new materials and chemicals derived entirely from computation has long been a goal of computational chemistry, and the governing equation whose solution would permit this dream is known. Unfortunately, the ...
    • Chemical basis of Trotter-Suzuki errors in quantum chemistry simulation 

      Babbush, Ryan; McClean, Jarrod Ryan; Wecker, Dave; Aspuru-Guzik, Alan; Wiebe, Nathan (American Physical Society (APS), 2015)
      Although the simulation of quantum chemistry is one of the most anticipated applications of quantum computing, the scaling of known upper bounds on the complexity of these algorithms is daunting. Prior work has bounded ...
    • Clock quantum Monte Carlo technique: An imaginary-time method for real-time quantum dynamics 

      McClean, Jarrod Ryan; Aspuru-Guzik, Alan (American Physical Society (APS), 2015)
      In quantum information theory, there is an explicit mapping between general unitary dynamics and Hermitian ground-state eigenvalue problems known as the Feynman-Kitaev clock Hamiltonian. A prominent family of methods for ...
    • Compact wavefunctions from compressed imaginary time evolution 

      McClean, Jarrod Ryan; Aspuru-Guzik, Alan (Royal Society of Chemistry (RSC), 2015)
      Simulation of quantum systems promises to deliver physical and chemical predictions for the frontiers of technology. In this work, we introduce a general and efficient black box method for many-body quantum systems using ...
    • Exploiting Locality in Quantum Computation for Quantum Chemistry 

      McClean, Jarrod Ryan; Babbush, Ryan Joseph; Love, Peter J.; Aspuru-Guzik, Alan (American Chemical Society (ACS), 2014)
      Accurate prediction of chemical and material properties from first principles quantum chemistry is a challenging task on traditional computers. Recent developments in quantum computation offer a route towards highly accurate ...
    • Feynman’s Clock, a New Variational Principle, and Parallel-in-Time Quantum Dynamics 

      McClean, Jarrod Ryan; Parkhill, John Anthony; Aspuru-Guzik, Alan (National Academy of Sciences, 2013)
      We introduce a discrete-time variational principle inspired by the quantum clock originally proposed by Feynman and use it to write down quantum evolution as a ground-state eigenvalue problem. The construction allows one ...
    • From Transistor to Trapped-ion Computers for Quantum Chemistry 

      Yung, Man hong; Casanova, J.; Mezzacapo, A.; McClean, Jarrod Ryan; Lamata, L.; Aspuru-Guzik, Alan; Solano, E. (Nature Publishing Group, 2014)
      Over the last few decades, quantum chemistry has progressed through the development of computational methods based on modern digital computers. However, these methods can hardly fulfill the exponentially-growing resource ...
    • The theory of variational hybrid quantum-classical algorithms 

      McClean, Jarrod Ryan; Romero, Jonathan; Babbush, Ryan Joseph; Aspuru-Guzik, Alan (IOP Publishing, 2016)
      Many quantum algorithms have daunting resource requirements when compared to what is available today. To address this discrepancy, a quantum-classical hybrid optimization scheme known as 'the quantum variational eigensolver' ...
    • A Variational Eigenvalue Solver on a Photonic Quantum Processor 

      Peruzzo, Alberto; McClean, Jarrod Ryan; Shadbolt, Peter; Yung, Man-Hong; Zhou, Xiao-Qi; Love, Peter; Aspuru-Guzik, Alan; O’Brien, Jeremy L. (Nature Publishing Group, 2014)
      Quantum computers promise to efficiently solve important problems that are intractable on a conventional computer. For quantum systems, where the physical dimension grows exponentially, finding the eigenvalues of certain ...