Related papers: Efficient state preparation for the quantum simula…
While quantum computers are capable of simulating many quantum systems efficiently, the simulation algorithms must begin with the preparation of an appropriate initial state. We present a method for generating physically relevant quantum…
Quantum computation of the energy of molecules and materials is one of the most promising applications of fault-tolerant quantum computers. Practical applications require development of quantum algorithms with reduced resource requirements.…
Gaussian states hold a fundamental place in quantum mechanics, quantum information, and quantum computing. Many subfields, including quantum simulation of continuous-variable systems, quantum chemistry, and quantum machine learning, rely on…
Simulating chemical systems is highly sought after and computationally challenging, as the number of degrees of freedom increases exponentially with the size of the system. Quantum computers have been proposed as a computational means to…
We present a novel method for improving the quantum simulation of the ground state energy of molecules. We perform a pre-processing step classically, which reduces the dimensionality of the problem by generating a custom mapping which…
Quantum algorithms for ground-state energy estimation of chemical systems require a high-quality initial state. However, initial state preparation is commonly either neglected entirely, or assumed to be solved by a simple product state like…
Ubiquitous in quantum computing is the step to encode data into a quantum state. This process is called quantum state preparation, and its complexity for non-structured data is exponential on the number of qubits. Several works address this…
Despite significant work on resource estimation for quantum simulation of electronic systems, the challenge of preparing states with sufficient ground state support has so far been largely neglected. In this work we investigate this issue…
Effective quantum computation relies upon making good use of the exponential information capacity of a quantum machine. A large barrier to designing quantum algorithms for execution on real quantum machines is that, in general, it is…
Quantum simulations of molecular systems on quantum computers often employ minimal basis sets of Gaussian orbitals. In comparison with more realistic basis sets, quantum simulations employing minimal basis sets require fewer qubits and…
We present an efficient quantum algorithm for preparing a pure state on a quantum computer, where the quantum state corresponds to that of a molecular system with a given number $m$ of electrons occupying a given number $n$ of spin…
Solving atomic nuclei from first principles places enormous demands on computational resources, which grow exponentially with increasing number of particles and the size of the space they occupy. We present first quantum simulations based…
State preparation is a necessary component of many quantum algorithms. In this work, we combine a method for efficiently representing smooth differentiable probability distributions using matrix product states with recently discovered…
We provide explicit circuits implementing the Kitaev-Webb algorithm for the preparation of multi-dimensional Gaussian states on quantum computers. While asymptotically efficient due to its polynomial scaling, we find that the circuits…
Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in quantum simulation of simple molecules,…
Understanding and predicting the properties of solid-state materials from first-principles has been a great challenge for decades. Owing to the recent advances in quantum technologies, quantum computations offer a promising way to achieve…
A common requirement of quantum simulations and algorithms is the preparation of complex states through sequences of 2-qubit gates. For a generic quantum state, the number of gates grows exponentially with the number of qubits, becoming…
Quantum Computing allows, in principle, the encoding of the exponentially scaling many-electron wave function onto a linearly scaling qubit register, offering a promising solution to overcome the limitations of traditional quantum chemistry…
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 fidelity of gates high enough that it can be…
Quantum computers promise to revolutionise electronic simulations by overcoming the exponential scaling of many-electron problems. While electronic wave functions can be represented using a product of fermionic unitary operators, shallow…