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Quantum Algorithm for Molecular Properties and Geometry Optimization
Ivan Kassal, Alán Aspuru-Guzik
It is known that quantum computers, if available, would allow an exponential decrease in the computational cost of quantum simulations. We extend this result to show that the compu…
Quantum Algorithm for Obtaining the Energy Spectrum of Molecular Systems
Hefeng Wang, Sabre Kais, Alán Aspuru-Guzik +1
Simulating a quantum system is more efficient on a quantum computer than on a classical computer. The time required for solving the Schrödinger equation to obtain molecular energie…
Quantum Process Estimation via Generic Two-Body Correlations
M. Mohseni, A. T. Rezakhani, J. T. Barreiro +2
Performance of quantum process estimation is naturally limited to fundamental, random, and systematic imperfections in preparations and measurements. These imperfections may lead t…
Quantum stochastic walks: A generalization of classical random walks and quantum walks
César A. Rodríguez-Rosario, James D. Whitfield, Alán Aspuru-Guzik
We introduce the quantum stochastic walk (QSW), which determines the evolution of generalized quantum mechanical walk on a graph that obeys a quantum stochastic equation of motion.…
Towards Quantum Chemistry on a Quantum Computer
Benjamin P. Lanyon, James D. Whitfield, Geoff G. Gillet +9
The fundamental problem faced in quantum chemistry is the calculation of molecular properties, which are of practical importance in fields ranging from materials science to biochem…