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This paper presents a global optimization approach to quantum mechanics, which describes the most fundamental dynamics of the universe. It suggests that the wave-like behavior of (sub)atomic particles could be the critical characteristic of…

Quantum Physics · Physics 2007-05-23 Xiaofei Huang

Numerous lines of experimental, numerical and analytical evidence indicate that it is surprisingly easy to locate optimal controls steering quantum dynamical systems to desired objectives. This has enabled the control of complex quantum…

Quantum Physics · Physics 2015-05-13 Raj Chakrabarti , Herschel Rabitz

In 1926, Erwin Schrodinger wrote a series of papers that invented wave mechanics and set the foundation for much of the single-particle quantum mechanics that we teach today. In his first paper, he solved the Schrodinger equation using the…

Quantum Physics · Physics 2021-12-17 Anna Galler , Jeremy Canfield , James K. Freericks

Genetic algorithms are heuristic optimization techniques inspired by Darwinian evolution, which are characterized by successfully finding robust solutions for optimization problems. Here, we propose a subroutine-based quantum genetic…

Quantum Physics · Physics 2024-06-07 Rubén Ibarrondo , Giancarlo Gatti , Mikel Sanz

We present a simple new way - called Schrodingerisation - to simulate general linear partial differential equations via quantum simulation. Using a simple new transform, referred to as the warped phase transformation, any linear partial…

Quantum Physics · Physics 2025-03-28 Shi Jin , Nana Liu , Yue Yu

A new approach to find exact solutions to one--dimensional quantum mechanical systems is devised. The scheme is based on the introduction of a potential function for the wavefunction, and the equation it satisfies. We recover known…

Quantum Physics · Physics 2021-02-08 Sergio A. Hojman , Felipe A. Asenjo

This article discusses applications of Bayesian machine learning for quantum molecular dynamics. One particular formulation of quantum dynamics advocated here is in the form of a machine learning simulator of the Schr\"{o}dinger equation.…

Chemical Physics · Physics 2019-07-24 R. V. Krems

We propose a simple quantum algorithm for simulating highly oscillatory quantum dynamics, which does not require complicated quantum control logic for handling time-ordering operators. To our knowledge, this is the first quantum algorithm…

Quantum Physics · Physics 2022-04-20 Dong An , Di Fang , Lin Lin

An algorithm for the numerical solution of the Schr\"odinger equation in the case of a time dependent potential is proposed. Our simple modification upgrades the well known method of Koonin while negligibly increasing the computing time. In…

Nuclear Theory · Physics 2009-10-28 R. Schaefer , R. Blendowske

Any time-dependent solution of Schr\"{o}dinger equation may be always correlated to a solution of Hamilton equations or to a statistical combination of their solutions; only the set of corresponding solutions is somewhat smaller (due to…

Quantum Physics · Physics 2012-05-31 Milos V. Lokajicek

In this work, we show how a genetic algorithm (GA) can be used to find step-by-step solutions to introductory physics problems. Our perspective is that the underlying task for this is one of finding a sequence of equations that will lead to…

Neural and Evolutionary Computing · Computer Science 2025-08-18 Tom Bensky , Justin Kopcinski

The quest for improved sampling methods to solve statistical mechanics problems of physical and chemical interest proceeds with renewed efforts since the invention of the Metropolis algorithm, in 1953. In particular, the understanding of…

Quantum Physics · Physics 2021-08-27 Guglielmo Mazzola

The simple genetic algorithm is proposed for the simulation of quantum many body dynamics. It uses the selection of entangled quantum states and has the inbuilt absolute decoherence that comes from the limitation of classical memory. It…

Quantum Physics · Physics 2008-01-24 Yuri Ozhigov

We employ an evolutionary algorithm to automatically optimize different stages of a cold atom experiment without human intervention. This approach closes the loop between computer based experimental control systems and automatic real time…

We present a family of algorithms for the numerical approximation of the Schr\"odinger equation with potential concentrated at a finite set of points. Our methods belong to the so-called fast and oblivious convolution quadrature algorithms.…

Numerical Analysis · Mathematics 2019-12-02 Lehel Banjai , María López-Fernández

The growth of evolutionary computing (EC) methods in the exploration of complex potential energy landscapes of atomic and molecular clusters, as well as crystals over the last decade or so is reviewed. The trend of growth indicates that…

Materials Science · Physics 2015-09-02 Kanchan Sarkar , S. P. Bhattacharyya

Optimizing the mRNA codon has an essential impact on gene expression for a specific target protein. It is an NP-hard problem; thus, exact solutions to such optimization problems become computationally intractable for realistic problem sizes…

Quantum Physics · Physics 2024-05-13 Hongfeng Zhang , Aritra Sarkar , Koen Bertels

Simulating a quantum system is more efficient on a quantum computer than on a classical computer. The time required for solving the Schr\"odinger equation to obtain molecular energies has been demonstrated to scale polynomially with system…

Quantum Physics · Physics 2019-03-27 Hefeng Wang , Sabre Kais , Alán Aspuru-Guzik , Mark R. Hoffmann

Several types of numerical and combinatorial optimization algorithms have been used as useful tools to minimize functional forms. Generally, when those forms are non-linear or occur in problems without a specific optimization method,…

Chemical Physics · Physics 2007-05-23 Luiz Fernando Roncaratti , Ricardo Gargano , Geraldo Magela e Silva

The working of a quantum computer is described in the concrete example of a quantum simulator of the single-particle Schrodinger equation. We show that a register of 6-10 qubits is sufficient to realize a useful quantum simulator capable of…

Quantum Physics · Physics 2008-06-12 Giuliano Benenti , Giuliano Strini