Related papers: Quantum Algorithm for Molecular Properties and Geo…
Quantum computers hold promise to enable efficient simulations of the properties of molecules and materials; however, at present they only permit ab initio calculations of a few atoms, due to a limited number of qubits. In order to harness…
Major players in the global aerospace industry are shifting their focus toward achieving net carbon-neutral operations by 2050. A considerable portion of the overall carbon emission reduction is expected to come from new aircraft…
For decades, computational chemistry has been posited as one of the areas in which quantum computing would revolutionize. However, the algorithmic advantages that fault-tolerant quantum computers have for chemistry can be overwhelmed by…
Quantum algorithms have the potential to provide exponential speedups over some of the best known classical algorithms. These speedups may enable quantum devices to solve currently intractable problems such as those in the fields of…
Variational Quantum Algorithms have emerged as a leading paradigm for near-term quantum computation. In such algorithms, a parameterized quantum circuit is controlled via a classical optimization method that seeks to minimize a…
Quantum computing has attracted significant interest in the optimization community because it potentially can solve classes of optimization problems faster than conventional supercomputers. Several researchers proposed quantum computing…
Modelling and predicting protein configurations is crucial for advancing drug discovery, enabling the design of treatments for life-threatening diseases. A critical aspect of this challenge is rotamer optimisation - the determination of…
Combinatorial optimization is considered a promising class of problems in which quantum computers can show significant advantages. However, problems of practical relevance typically have more variables than current or foreseeable quantum…
We provide an example of a quantum system which solves a numerical problem more efficiently than a classical computer. The example uses the Aharonov-Bohm effect, and can be integrated into standard quantum mechanics courses. The aim is to…
In machine learning, fewer features reduce model complexity. Carefully assessing the influence of each input feature on the model quality is therefore a crucial preprocessing step. We propose a novel feature selection algorithm based on a…
In this research notebook in the four-part, quantum computation and applications, quantum computation and algorithms, quantum communication protocol, and universal quantum computation for quantum engineers, researchers, and scientists, we…
Recent advances in quantum computers are demonstrating the ability to solve problems at a scale beyond brute force classical simulation. As such, a widespread interest in quantum algorithms has developed in many areas, with optimization…
Protein design is a technique to engineer proteins by modifying their sequence to obtain novel functionalities. In this method, amino acids in the sequence are permutated to find the low energy states satisfying the configuration. However,…
Quantum optimization algorithms (QOAs) have the potential to fundamentally transform the application of optimization methods in decision making. For certain classes of optimization problems, it is widely believed that QOA enables…
Quantum computers are designed to outperform standard computers by running quantum algorithms. Areas in which quantum algorithms can be applied include cryptography, search and optimisation, simulation of quantum systems, and solving large…
Quantum computers can execute algorithms that sometimes dramatically outperform classical computation. Undoubtedly the best-known example of this is Shor's discovery of an efficient quantum algorithm for factoring integers, whereas the same…
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,…
Quantum computers hold great promise, but it remains a challenge to find efficient quantum circuits that solve interesting computational problems. We show that finding optimal quantum circuits is essentially equivalent to finding the…
In this paper, we investigate the use of variational quantum algorithms for simulating the thermodynamic properties of dinuclear metal complexes. Our study highlights the potential of quantum computing to transform advanced simulations and…
Quantum computers have the potential to simulate chemical systems beyond the capability of classical computers. Recent developments in hybrid quantum-classical approaches enable the determinations of the ground or low energy states of…