Related papers: Gate-based Quantum Computing for Protein Design
In this paper we discuss how we can design Hamiltonians to implement quantum algorithms, in particular we focus in Deutsch and Grover algorithms. As main result of this paper, we show how Hamiltonian inverse quantum engineering method allow…
Gate-model quantum computers provide an experimentally implementable architecture for near term quantum computations. To design a reduced quantum circuit that can simulate a high complexity reference quantum circuit, an optimization should…
As the engineering endeavour to realise quantum computers progresses, we consider that such machines need not rely on binary as their de facto unit of information. We investigate Grover's algorithm under a generalised quantum circuit model,…
Quantum computing, leveraging quantum phenomena like superposition and entanglement, is emerging as a transformative force in computing technology, promising unparalleled computational speed and efficiency crucial for engineering…
A quantum algorithm is a set of instructions for a quantum computer, however, unlike algorithms in classical computer science their results cannot be guaranteed. A quantum system can undergo two types of operation, measurement and quantum…
Quantum-chemical fragmentation methods offer an efficient approach for the treatment of large proteins, in particular if local target quantities such as protein--ligand interaction energies, enzymatic reaction energies, or spectroscopic…
Quantum computing promises to revolutionize various fields, yet the execution of quantum programs necessitates an effective compilation process. This involves strategically mapping quantum circuits onto the physical qubits of a quantum…
Recent studies have been spurred on by the promise of advanced quantum computing technology, which has led to the development of quantum computer simulations on classical hardware. Grover's quantum search algorithm is one of the well-known…
Quantum gates, which are the essential building blocks of quantum computers, are very fragile. Thus, to realize robust quantum gates with high fidelity is the ultimate goal of quantum manipulation. Here, we propose a nonadiabatic geometric…
Quantum annealing has shown promise for finding solutions to difficult optimization problems, including protein folding. Recently, we used the D-Wave Advantage quantum annealer to explore the folding problem in a coarse-grained lattice…
Protein engineering is experiencing a paradigmatic shift through the integration of geometric deep learning into computational design workflows. While traditional strategies, such as rational design and directed evolution, have enabled…
We review the recent progress in computational approaches to protein design which builds on advances in statistical-mechanical protein folding theory. In particular, we evaluate the degeneracy of the protein code (i.e. how many sequences…
Perceptron model is a fundamental linear classifier in machine learning and also the building block of artificial neural networks. Recently, Wiebe et al. (arXiv:1602.04799) proposed that the training of a perceptron can be quadratically…
Existing and near-term quantum computers can only perform two-qubit gates between physically connected qubits. Research has been done on compilers to rewrite quantum programs to match hardware constraints. However, the quantum processor…
Structure-based virtual screening must address a combinatorial explosion arising from up to 10^60 drug-like molecules, multiple conformations of proteins and ligands, and all possible spatial translations and rotations of ligands within the…
The design of new devices and experiments in science and engineering has historically relied on the intuitions of human experts. This credo, however, has changed. In many disciplines, computer-inspired design processes, also known as…
Quantum data loading plays a central role in quantum algorithms and quantum information processing. Many quantum algorithms hinge on the ability to prepare arbitrary superposition states as a subroutine, with claims of exponential speedups…
Each year, the gap between theoretical proposals and experimental endeavours to create quantum computers gets smaller, driven by the promise of fundamentally faster algorithms and quantum simulations. This occurs by the combination of…
The art of quantum algorithm design is highly nontrivial. Grover's search algorithm constitutes a masterpiece of quantum computational software. In this article, we use methods of geometric algebra (GA) and information geometry (IG) to…
Protein design has the potential to revolutionize biotechnology and medicine. While most efforts have focused on proteins with well-defined structures, increased recognition of the functional significance of intrinsically disordered…