Gate-Level Simulation of Quantum Circuits

While thousands of experimental physicists and chemists are currently trying to build scalable quantum computers, it appears that simulation of quantum computation will be at least as critical as circuit simulation in classical VLSI design. However, since the work of Richard Feynman in the early 1980s little progress was made in practical quantum simulation. Most researchers focused on polynomial-time simulation of restricted types of quantum circuits that fall short of the full power of quantum computation. Simulating quantum computing devices and useful quantum algorithms on classical hardware now requires excessive computational resources, making many important simulation tasks infeasible. In this work we propose a new technique for gate-level simulation of quantum circuits which greatly reduces the difficulty and cost of such simulations. The proposed technique is implemented in a simulation tool called the Quantum Information Decision Diagram (QuIDD) and evaluated by simulating Grover's quantum search algorithm. The back-end of our package, QuIDD Pro, is based on Binary Decision Diagrams, well-known for their ability to efficiently represent many seemingly intractable combinatorial structures. This reliance on a well-established area of research allows us to take advantage of existing software for BDD manipulation and achieve unparalleled empirical results for quantum simulation

Efficient Algorithms for Universal Quantum Simulation

A universal quantum simulator would enable efficient simulation of quantum dynamics by implementing quantum-simulation algorithms on a quantum computer. Specifically the quantum simulator would efficiently generate qubit-string states that closely approximate physical states obtained from a broad class of dynamical evolutions. I provide an overview of theoretical research into universal quantum simulators and the strategies for minimizing computational space and time costs. Applications to simulating many-body quantum simulation and solving linear equations are discussed

Simulation of chemical reaction dynamics on an NMR quantum computer

Quantum simulation can beat current classical computers with minimally a few tens of qubits and will likely become the first practical use of a quantum computer. One promising application of quantum simulation is to attack challenging quantum chemistry problems. Here we report an experimental demonstration that a small nuclear-magnetic-resonance (NMR) quantum computer is already able to simulate the dynamics of a prototype chemical reaction. The experimental results agree well with classical simulations. We conclude that the quantum simulation of chemical reaction dynamics not computable on current classical computers is feasible in the near future.Comment: 37 pages, 7 figure

Introduction to Quantum Algorithms for Physics and Chemistry

In this introductory review, we focus on applications of quantum computation to problems of interest in physics and chemistry. We describe quantum simulation algorithms that have been developed for electronic-structure problems, thermal-state preparation, simulation of time dynamics, adiabatic quantum simulation, and density functional theory.Comment: 44 pages, 5 figures; comments or suggestions for improvement are welcom