Related papers: Orbital transformations to reduce the 1-norm of th…
Quantum computing hardware has grown sufficiently complex that it often can no longer be simulated by classical computers, but its computational power remains limited by errors. These errors corrupt the results of quantum algorithms, and it…
Experimental implementations of quantum computer architectures are now being investigated in many different physical settings. The full set of requirements that must be met to make quantum computing a reality in the laboratory [1] is…
Simulating Hamiltonian dynamics is one of the most fundamental and significant tasks for characterising quantum materials. Recently, a series of quantum algorithms employing block-encoding of Hamiltonians have succeeded in providing…
The efficient validation of quantum devices is critical for emerging technological applications. In a wide class of use-cases the precise engineering of a Hamiltonian is required both for the implementation of gate-based quantum information…
The time evolution operator plays a crucial role in the precise computation of chemical experiments on quantum computers and holds immense promise for advancing the fields of physical and computer sciences, with applications spanning…
Simulating the time-evolution of quantum mechanical systems is BQP-hard and expected to be one of the foremost applications of quantum computers. We consider classical algorithms for the approximation of Hamiltonian dynamics using…
Quantum computers can efficiently simulate highly entangled quantum systems, offering a solution to challenges facing classical simulation of Quantum Field Theories (QFTs). This paper presents an alternative to traditional methods for…
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…
During the noisy intermediate-scale quantum (NISQ) era, quantum computational approaches refined to overcome the challenge of limited quantum resources are highly valuable. However, the accuracy of the molecular properties predicted by most…
As a cornerstone of automated reasoning, equational reasoning finds equivalences between symbolic expressions and fuels advances across scientific disciplines. Yet, its potential remains limited by the exponential growth of equivalent…
A hybrid quantum-classical algorithm is a computational scheme in which quantum circuits are used to extract information that is then processed by a classical routine to guide subsequent quantum operations. These algorithms are especially…
The exact solution of the Schrodinger equation for atoms, molecules and extended systems continues to be a "Holy Grail" problem for the field of atomic and molecular physics since inception. Recently, breakthroughs have been made in the…
Combinatorial optimization is a promising application for near-term quantum computers, however, identifying performant algorithms suited to noisy quantum hardware remains as an important goal to potentially realizing quantum computational…
Quantum simulation has emerged as a key application of quantum computing, with significant progress made in algorithms for simulating both closed and open quantum systems. The simulation of open quantum systems, particularly those governed…
The simulation of quantum dynamics calls for quantum algorithms working in first quantized grid encodings. Here, we propose a variational quantum algorithm for performing quantum dynamics in first quantization. In addition to the usual…
Quantum algorithms are known for providing more efficient solutions to certain computational tasks than any corresponding classical algorithm. Here we show that a single qudit is sufficient to implement an oracle based quantum algorithm,…
A common approach to minimizing the cost of quantum computations is by transforming a quantum system into a basis that can be optimally truncated. Here, we derive classical equations of motion subjected to similar unitary transformations,…
We demonstrate the feasibility of quantum computing for large-scale, realistic chemical systems through the development of a new interface using a quantum circuit simulator and CP2K, a highly efficient first-principles calculation software.…
Practical applicability of quantum optimisation on near term devices is constrained by limited qubit counts and hardware noise, which restricts the scalability of quantum optimisation algorithms for combinatorial problems. The simulation of…
In the era of Noisy Intermediate-Scale Quantum (NISQ) computers it is crucial to design quantum algorithms which do not require many qubits or deep circuits. Unfortunately, the most well-known quantum algorithms are too demanding to be run…