English
Related papers

Related papers: Gate-based Quantum Computing for Protein Design

200 papers

We present QCAM, a quantum analogue of Content-Addressable Memory (CAM), useful for finding matches in two sequences of bit-strings. Our QCAM implementation takes advantage of Grover's search algorithm and proposes a highly-optimized…

Quantum Physics · Physics 2023-08-02 Jan Balewski , Daan Camps , Katherine Klymko , Andrew Tritt

Shor and Grover demonstrated that a quantum computer can outperform any classical computer in factoring numbers and in searching a database by exploiting the parallelism of quantum mechanics. Whereas Shor's algorithm requires both…

Mesoscale and Nanoscale Physics · Physics 2016-08-31 Michael N. Leuenberger , Daniel Loss

Quantum multi-programming is a method utilizing contemporary noisy intermediate-scale quantum computers by executing multiple quantum circuits concurrently. Despite early research on it, the research remains on quantum gates or small-size…

Quantum Physics · Physics 2023-08-09 Gilchan Park , Kun Zhang , Kwangmin Yu , Vladimir Korepin

Computational methods are the most effective tools we have besides scientific experiments to explore the properties of complex biological systems. Progress is slowing because digital silicon computers have reached their limits in terms of…

Quantum Physics · Physics 2020-04-03 Viv Kendon

In general, we can not use algebraic or enumerative methods to optimize a quality control (QC) procedure so as to detect the critical random and systematic analytical errors with stated probabilities, while the probability for false…

Neural and Evolutionary Computing · Computer Science 2018-12-03 Aristides T. Hatjimihail , Theophanes T. Hatjimihail

Determining the interaction strength between proteins and small molecules is key to analyzing their biological function. Quantum-mechanical calculations such as \emph{Density Functional Theory} (DFT) give accurate and theoretically…

Data Structures and Algorithms · Computer Science 2016-06-13 Moritz von Looz , Mario Wolter , Christoph R. Jacob , Henning Meyerhenke

Science is rich in abstract concepts that capture complex processes in astonishingly simple ways. A prominent example is the reduction of molecules to simple graphs. This work introduces a design principle for parametrized quantum circuits…

Quantum Physics · Physics 2023-08-09 Jakob S. Kottmann

Quantum computers and quantum algorithms have made great strides in the last few years and promise improvements over classical computing for specific tasks. Although the current hardware is not yet ready to make real impacts at the time of…

Quantum Physics · Physics 2024-08-28 Nils Quetschlich , Tobias Forster , Adrian Osterwind , Domenik Helms , Robert Wille

Quantum algorithms can be analyzed in a query model to compute Boolean functions where input is given in a black box, but the aim is to compute function value for arbitrary input using as few queries as possible. In this paper we…

Quantum Physics · Physics 2012-03-24 Alina Dubrovska Vasilieva , Taisia Mischenko-Slatenkova

Numerical optimization methods such as hillclimbing and simulated annealing have been applied to search for highly entangled multi-qubit states. Here the genetic algorithm is applied to this optimization problem -- to search not only for…

Quantum Physics · Physics 2010-03-17 Zheyong Fan , Hugo de Garis , Ben Goertzel , Zhongzhou Ren , Huabi Zeng

Proteins are sequences of amino acids that serve as the basic building blocks of living organisms. Despite rapidly growing databases documenting structural and functional information for various protein sequences, our understanding of…

Biomolecules · Quantitative Biology 2025-01-06 Weihang Dai

Nonlinear boolean equation systems play an important role in a wide range of applications. Grover's algorithm is one of the best-known quantum search algorithms in solving the nonlinear boolean equation system on quantum computers. In this…

Quantum Physics · Physics 2024-10-16 Xiang Li , Hanxiang Shen , Weiguo Gao , Yingzhou Li

It is usually assumed that a quantum computation is performed by applying gates in a specific order. One can relax this assumption by allowing a control quantum system to switch the order in which the gates are applied. This provides a more…

Quantum Physics · Physics 2020-06-11 Mateus Araújo , Fabio Costa , Časlav Brukner

Genetic Programming is an evolutionary algorithm that generates computer programs, or mathematical expressions, to solve complex problems. In this Guide, we demonstrate how to use Genetic Programming to develop surrogate models to mitigate…

A binary constant weight code is a type of error-correcting code with a wide range of applications. The problem of finding a binary constant weight code has long been studied as a combinatorial optimization problem in coding theory. In this…

Quantum Physics · Physics 2022-11-10 Kein Yukiyoshi , Naoki Ishikawa

Unlike most classical algorithms that take an input and give the solution directly as an output, quantum algorithms produce a quantum circuit that works as an indirect solution to computationally hard problems. In the full quantum computing…

Quantum Physics · Physics 2025-05-22 Yikai Mao , Shaswot Shresthamali , Masaaki Kondo

Many methods solve Poisson equations by using grid techniques which discretize the problem in each dimension. Most of these algorithms are subject to the curse of dimensionality, so that they need exponential runtime. In the paper "Quantum…

Emerging Technologies · Computer Science 2020-06-17 Michael Holzmann , Harald Koestler

Searching large databases is an important problem with broad applications. The Grover search algorithm provides a powerful method for quantum computers to perform searches with a quadratic speedup in the number of required database queries…

Quantum Physics · Physics 2017-12-05 C. Figgatt , D. Maslov , K. A. Landsman , N. M. Linke , S. Debnath , C. Monroe

Genetic algorithms are heuristic optimization techniques inspired by Darwinian evolution. Quantum computation is a new computational paradigm which exploits quantum resources to speed up information processing tasks. Therefore, it is…

Quantum Physics · Physics 2023-02-20 Rubén Ibarrondo , Giancarlo Gatti , Mikel Sanz

Engineering new molecules with desirable functions and properties has the potential to extend our ability to engineer proteins beyond what nature has so far evolved. Advances in the so-called "de novo" design problem have recently been…

Machine Learning · Computer Science 2023-10-17 Adam Winnifrith , Carlos Outeiral , Brian Hie