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While many good textbooks are available on Protein Structure, Molecular Simulations, Thermodynamics and Bioinformatics methods in general, there is no good introductory level book for the field of Structural Bioinformatics. This book aims…

We describe a quantum algorithm to prepare an arbitrary pure state of a register of a quantum computer with fidelity arbitrarily close to 1. Our algorithm is based on Grover's quantum search algorithm. For sequences of states with suitably…

Quantum Physics · Physics 2007-05-23 Andrei N. Soklakov , Ruediger Schack

Practical challenges in simulating quantum systems on classical computers have been widely recognized in the quantum physics and quantum chemistry communities over the past century. Although many approximation methods have been introduced,…

Quantum machine learning seeks a computational advantage in data processing by evaluating functions of quantum states, such as their similarity, that can be classically intractable to compute. For quantum advantage to be possible, however,…

Genome sequence analysis plays a pivotal role in enabling many medical and scientific advancements in personalized medicine, outbreak tracing, and forensics. However, the analysis of genome sequencing data is currently bottlenecked by the…

Hardware Architecture · Computer Science 2021-11-04 Damla Senol Cali

A fundamental problem in statistics and learning theory is to test properties of distributions. We show that quantum computers can solve such problems with significant speed-ups. In particular, we give fast quantum algorithms for testing…

Quantum Physics · Physics 2019-02-05 András Gilyén , Tongyang Li

The ability to efficiently infer system parameters is essential in any signal-processing task that requires fast operation. Dealing with quantum systems, a serious challenge arises due to substantial growth of the underlying Hilbert space…

Quantum Physics · Physics 2025-04-23 Lewis A. Clark , Jan Kolodynski

Quantum machine learning has the potential for broad industrial applications, and the development of quantum algorithms for improving the performance of neural networks is of particular interest given the central role they play in machine…

Quantum Physics · Physics 2019-09-09 Jonathan Allcock , Chang-Yu Hsieh , Iordanis Kerenidis , Shengyu Zhang

Traditional drug discovery pipeline takes several years and cost billions of dollars. Deep generative and predictive models are widely adopted to assist in drug development. Classical machines cannot efficiently produce atypical patterns of…

Emerging Technologies · Computer Science 2021-04-05 Junde Li , Mahabubul Alam , Congzhou M Sha , Jian Wang , Nikolay V. Dokholyan , Swaroop Ghosh

As we begin to reach the limits of classical computing, quantum computing has emerged as a technology that has captured the imagination of the scientific world. While for many years, the ability to execute quantum algorithms was only a…

Quantum Physics · Physics 2020-11-12 Bela Bauer , Sergey Bravyi , Mario Motta , Garnet Kin-Lic Chan

As quantum computers become available to the general public, the need has arisen to train a cohort of quantum programmers, many of whom have been developing classical computer programs for most of their careers. While currently available…

We propose a hybrid classical-quantum digitized-counterdiabatic algorithm to tackle the protein folding problem on a tetrahedral lattice. Digitized-counterdiabatic quantum computing is a paradigm developed to compress quantum algorithms via…

Quantum Physics · Physics 2023-07-13 Pranav Chandarana , Narendra N. Hegade , Iraitz Montalban , Enrique Solano , Xi Chen

The difficulty of simulating quantum systems, well-known to quantum chemists, prompted the idea of quantum computation. One can avoid the steep scaling associated with the exact simulation of increasingly large quantum systems on…

Quantum computers promise to surpass the most powerful classical supercomputers when it comes to solving many critically important practical problems, such as pharmaceutical and fertilizer design, supply chain and traffic optimization, or…

Computation · Statistics 2022-04-05 Anna Lopatnikova , Minh-Ngoc Tran , Scott A. Sisson

Protein folding is a central challenge in computational biology, with important applications in molecular biology, drug discovery and catalyst design. As a hard combinatorial optimisation problem, it has been studied as a potential target…

Quantum computing provides a new way for approaching problem solving, enabling efficient solutions for problems that are hard on classical computers. It is based on leveraging how quantum particles behave. With researchers around the world…

Quantum Physics · Physics 2021-09-29 Ahmed Shokry , Moustafa Youssef

Recently, researchers have applied genetic algorithms (GAs) to address some problems in quantum computation. Also, there has been some works in the designing of genetic algorithms based on quantum theoretical concepts and techniques. The so…

Neural and Evolutionary Computing · Computer Science 2007-05-23 Gilson A. Giraldi , Renato Portugal , Ricardo N. Thess

We present a quantum algorithm for sampling an edge on a path between two nodes s and t in an undirected graph given as an adjacency matrix, and show that this can be done in query complexity that is asymptotically the same, up to log…

Quantum Physics · Physics 2023-07-21 Stacey Jeffery , Shelby Kimmel , Alvaro Piedrafita

Quantum computing promises to speed up some of the most challenging problems in science and engineering. Quantum algorithms have been proposed showing theoretical advantages in applications ranging from chemistry to logistics optimization.…

Quantum Physics · Physics 2021-11-12 Niklas Heim , Atiyo Ghosh , Oleksandr Kyriienko , Vincent E. Elfving

Generating a test suite for a quantum program such that it has the maximum number of failing tests is an optimization problem. For such optimization, search-based testing has shown promising results in the context of classical programs. To…

Software Engineering · Computer Science 2022-04-20 Xinyi Wang , Paolo Arcaini , Tao Yue , Shaukat Ali
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