Now showing items 1-8 of 8

    • Adiabatic Quantum Simulators 

      Biamonte, J. D; Bergholm, V.; Whitfield, James D.; Fitzsimons, J.; Aspuru-Guzik, Alan (2011)
      In his famous 1981 talk, Feynman proposed that unlike classical computers, which would presumably experience an exponential slowdown when simulating quantum phenomena, a universal quantum simulator would not. An ideal ...
    • Computational complexity in electronic structure 

      Whitfield, James; Love, Peter; Aspuru-Guzik, Alan (Royal Society of Chemistry, 2013)
      In quantum chemistry, the price paid by all known efficient model chemistries is either the truncation of the Hilbert space or uncontrolled approximations. Theoretical computer science suggests that these restrictions are ...
    • Computational Complexity of Time-Dependent Density Functional Theory 

      Whitfield, J; Yung, M-H; Tempel, David Gabriel; Boixo, S; Aspuru-Guzik, Alan (IOP Publishing, 2014)
      Time-dependent density functional theory (TDDFT) is rapidly emerging as a premier method for solving dynamical many-body problems in physics and chemistry. The mathematical foundations of TDDFT are established through the ...
    • Quantum Computing for Molecular Energy Simulations 

      Whitfield, James D.; Biamonte, Jacob; Aspuru-Guzik, Alan (2010)
      Over the last century, a large number of physical and mathematical developments paired with rapidly advancing technology have allowed the field of quantum chemistry to advance dramatically. However, the lack of computationally ...
    • Quantum Stochastic Walks: A Generalization of Classical Random Walks and Quantum Walks 

      Whitfield, James D.; Rodríguez-Rosario, César A.; Aspuru-Guzik, Alan (American Physical Society, 2010)
      We introduce the quantum stochastic walk (QSW), which determines the evolution of a generalized quantum-mechanical walk on a graph that obeys a quantum stochastic equation of motion. Using an axiomatic approach, we specify ...
    • Simulating Chemistry Using Quantum Computers 

      Kassal, Ivan; Whitfield, James D.; Perdomo-Ortiz, Alejandro; Yung, Man-Hong; Aspuru-Guzik, Alan (Annual Reviews, 2011)
      The difficulty of simulating quantum systems, well-known to quantum chemists, prompted the idea of quantum computation. One can avoid the steep scaling associated with the exact simulation of increasingly large quantum ...
    • Simulation of Classical Thermal States on a Quantum Computer: A Transfer Matrix Approach 

      Yung, Man-Hong; Nagaj, Daniel; Whitfield, James D.; Aspuru-Guzik, Alan (2010)
      We present a hybrid quantum-classical algorithm to simulate thermal states of a classical Hamiltonians on a quantum computer. Our scheme employs a sequence of locally controlled rotations, building up the desired state by ...
    • Towards Quantum Chemistry on a Quantum Computer 

      Lanyon, B. P.; Whitfield, James Daniel; Gillett, G. G.; Goggin, M. E.; Almeida, M. P.; Kassal, Ivan; Biamonte, J. D.; Mohseni, Masoud; Powell, B. J.; Barbieri, M.; Aspuru-Guzik, Alan; White, Andrew G. (Nature Publishing Group, 2010)
      Exact first-principles calculations of molecular properties are currently intractable because their computational cost grows exponentially with both the number of atoms and basis set size. A solution is to move to a radically ...