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Modeling and simulating the protein folding process overall remains a grand challenge in computational biology. We systematically investigate end-to-end quantum algorithms for simulating various protein dynamics with effects, such as…

Quantum Physics · Physics 2025-04-17 Zhenning Liu , Xiantao Li , Chunhao Wang , Jin-Peng Liu

Stochastic simulation can make the molecular processes of cellular control more vivid than the traditional differential-equation approach by generating typical system histories instead of just statistical measures such as the mean and…

Subcellular Processes · Quantitative Biology 2018-09-18 Kevin Y. Chen , Daniel M. Zuckerman , Philip C. Nelson

All natural things process and transform information. They receive environmental information as input, and transform it into appropriate output responses. Much of science is dedicated to building models of such systems -- algorithmic…

Quantum Physics · Physics 2017-02-14 Jayne Thompson , Andrew J. P. Garner , Vlatko Vedral , Mile Gu

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

Quantum algorithms profit from the interference of quantum states in an exponentially large Hilbert space and the fact that unitary transformations on that Hilbert space can be broken down to universal gates that act only on one or two…

Quantum Physics · Physics 2022-03-14 Daniel Braun , Ronny Müller

Probabilistic cellular automata with deterministic updating are quantum systems. We employ the quantum formalism for an investigation of random probabilistic cellular automata, which start with a probability distribution over initial…

Quantum Physics · Physics 2024-05-17 A. Kreuzkamp , C. Wetterich

We investigate the problem of simulating classical stochastic processes through quantum dynamics, and present three scenarios where memory or time quantum advantages arise. First, by introducing and analysing a quantum version of the…

Quantum Physics · Physics 2021-04-27 Kamil Korzekwa , Matteo Lostaglio

Functions of chemical composition are complex and discrete in nature making it impossible to optimize them with gradient methods. Genetic algorithms, which do not use derivative information, are used to maximize the thermal conductivity of…

Materials Science · Physics 2018-01-30 Alexander Kerr , Kieran Mullen

The interplay of Anderson localisation and decoherence results in intricate dynamics but is notoriously difficult to simulate on classical computers. We develop the framework for a quantum simulation of such an open quantum system making…

Quantum Physics · Physics 2020-08-19 Max Hunter-Gordon , Zsolt Szabó , Robert A. Nyman , Florian Mintert

Simulating charge and energy transfer in extended molecular networks requires an effective model to include the environment because it significantly affects the quantum dynamics. A prototypical effect known as Environment-Assisted Quantum…

Quantum Physics · Physics 2022-02-04 Federico Gallina , Matteo Bruschi , Barbara Fresch

Quantum simulation provides a powerful route for exploring many-body phenomena beyond the capabilities of classical computation. Existing approaches typically proceed in the forward direction: a model Hamiltonian is specified, implemented…

The principle of energy conservation leads to a generalized choice of transition probability in a piecewise adiabatic representation of quantum(-classical) dynamics. Significant improvement (almost an order of magnitude, depending on the…

Quantum Physics · Physics 2010-03-03 Alessandro Sergi , Francesco Petruccione

We show how quantum dynamics can be captured in the state of a quantum system, in such a way that the system can be used to stochastically perform, at a later time, the stored transformation perfectly on some other quantum system. Thus…

Quantum Physics · Physics 2009-11-07 G. Vidal , L. Masanes , J. I. Cirac

Quantum Annealing, or Quantum Stochastic Optimization, is a classical randomized algorithm which provides good heuristics for the solution of hard optimization problems. The algorithm, suggested by the behaviour of quantum systems, is an…

Quantum Physics · Physics 2011-07-06 Diego de Falco , Dario Tamascelli

The simulation of large-scale classical systems in exponentially small space on quantum computers has gained attention. The prior work demonstrated that a quantum algorithm offers an exponential speedup over any classical algorithm in…

Quantum Physics · Physics 2026-03-02 Kazuki Sakamoto , Keisuke Fujii

A genetic algorithm (GA) is a search-based optimization technique based on the principles of Genetics and Natural Selection. We present an algorithm which enhances the classical GA with input from quantum annealers. As in a classical GA,…

Quantum Physics · Physics 2022-09-16 Steven Abel , Luca A. Nutricati , Michael Spannowsky

Modeling joint probability distributions is an important task in a wide variety of fields. One popular technique for this employs a family of multivariate distributions with uniform marginals called copulas. While the theory of modeling…

Neural network models of real-world systems, such as industrial processes, made from sensor data must often rely on incomplete data. System states may not all be known, sensor data may be biased or noisy, and it is not often known which…

Neural and Evolutionary Computing · Computer Science 2007-06-08 Donald A. Sofge , David L. Elliott

A quantum algorithm succeeds not because the superposition principle allows 'the computation of all values of a function at once' via 'quantum parallelism,' but rather because the structure of a quantum state space allows new sorts of…

Quantum Physics · Physics 2010-05-17 Jeffrey Bub

Diffusion processes with branching play an important role in statistical dynamics. They are a common approach to the computing of quantum mechanical groundstates, and serve as models for population dynamics and as physical pictures for…

Condensed Matter · Physics 2008-02-03 Thomas Fricke