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Catalytic processes are vital in the chemical industry, with nitrogen-to-ammonia conversion being a major industrial process. Designing catalysts relies on computational chemistry methods like Density Functional Theory (DFT), which have…

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

Active systems across scales, ranging from molecular machines to human crowds, are usually modeled as assemblies of self-propelled particles driven by internally generated forces. However, these models often assume memoryless dynamics and…

Statistical Mechanics · Physics 2025-12-10 Marc Besse , Raphaël Voituriez

Quantum computers take advantage of interfering quantum alternatives in order to handle problems that might be too time consuming with algorithms based on classical logic. Developing quantum computers requires new ways of thinking beyond…

Quantum Physics · Physics 2014-09-10 W. C. Parke

A rigorous quantum description of molecular dynamics with a particular emphasis on internal observables is developed accounting explicitly for kinetic couplings between nuclei and electrons. Rotational modes are treated in a genuinely…

Chemical Physics · Physics 2015-07-07 Sylvain D. Brechet , Francois A. Reuse , Klaus Maschke , Jean-Philippe Ansermet

Identifying the physiological processes in the central nervous system that underlie our conscious experiences has been at the forefront of cognitive neuroscience. While the principles of classical physics were long found to be…

Neurons and Cognition · Quantitative Biology 2021-05-05 Danko D. Georgiev

Our understanding of the physics of biological molecules, such as proteins and DNA, is limited because the approximations we usually apply to model inert materials are not in general applicable to soft, chemically inhomogeneous systems. The…

Quantum Physics · Physics 2010-07-13 Sarah Harris , Vivien M. Kendon

We present an ab initio correlated approach to study molecules that interact strongly with quantum fields in an optical cavity. Quantum electrodynamics coupled cluster theory provides a non-perturbative description of cavity-induced effects…

Chemical Physics · Physics 2020-12-07 Tor S. Haugland , Enrico Ronca , Eirik F. Kjønstad , Angel Rubio , Henrik Koch

The Newtonian concept of force may be useful in some aspects of the dynamics of many-particle quantum systems such as fissioning nuclei. Following Ehrenfest's method, we show that the quantum kinetic force between parts of an extended…

Nuclear Theory · Physics 2020-06-16 G. F. Bertsch

In this third of a series on quantum radiation, we explore the feasibility of using the memories kept in a quantum field to decipher certain information about the early universe. As a model study, we let a massless quantum field be…

Quantum Physics · Physics 2024-10-14 Matthew Bravo , Jen-Tsung Hsiang , Bei-Lok Hu

The rapidly increasing interest in the quantum properties of living matter stimulates a discussion of the fundamental properties of life as well as quantum mechanics. In this discussion often concepts are used that originate in philosophy…

History and Philosophy of Physics · Physics 2016-07-27 Alfred Driessen

We address fundamental limitations of quantum teleportation -- the process of transferring quantum information using classical communication and preshared entanglement. We develop a new teleportation protocol based upon the idea of using…

Quantum Physics · Physics 2021-09-01 Patryk Lipka-Bartosik , Paul Skrzypczyk

In the molecular quantum chemistry community, coupled-cluster (CC) methods are well-recognized for their systematic convergence and reliability. The extension of the theory to extended systems has been comparably recent, so that…

Chemical Physics · Physics 2024-10-31 Andreas Grüneis , Evgeny Moerman , Matthias Scheffler , Tonghao Shen , Igor Ying Zhang

Quantum-dot cellular automata (QCA) is a low-power, non-von-Neumann, general-purpose paradigm for classical computing using transistor-free logic. An elementary QCA device called a "cell" is made from a system of coupled quantum dots with a…

Quantum Physics · Physics 2019-05-22 Enrique P. Blair

The single-mode Dicke model is well-known to undergo a quantum phase transition from the so-called normal phase to the supperradiant phase (hereinafter called the "superradiant quantum phase transition"). Normally, quantum phase transitions…

Quantum Physics · Physics 2014-07-10 T. L. Wang , L. N. Wu , W. Yang , G. R. Jin , N. Lambert , F. Nori

In the last 25 years a new understanding has evolved of the role of information in quantum mechanics. At the same time there has been tremendous progress in atomic/optical physics and condensed matter physics, and particularly at the…

Quantum Physics · Physics 2013-02-26 S. M. Girvin

The angular momentum of molecules, or, equivalently, their rotation in three-dimensional space, is ideally suited for quantum control. Molecular angular momentum is naturally quantized, time evolution is governed by a well-known Hamiltonian…

Quantum Physics · Physics 2019-10-23 Christiane P. Koch , Mikhail Lemeshko , Dominique Sugny

We study quantization of a self-interacting scalar field within the unfolded dynamics approach. To this end we find and analyze a classical unfolded system describing 4d off-shell scalar field with a general self-interaction potential. Then…

High Energy Physics - Theory · Physics 2023-12-22 Nikita Misuna

Quantum optimal control experiments and simulations have successfully manipulated the dynamics of systems ranging from atoms to biomolecules. Surprisingly, these collective works indicate that the effort (i.e., the number of algorithmic…

Quantum Physics · Physics 2013-05-29 Katharine W. Moore , Herschel Rabitz

A quantum-field approach for describing many-particle Fermi systems at finite temperatures and with spontaneously broken symmetry has been proposed. A generalized model of self-consistent field (SCF), which allows one to describe the states…

Statistical Mechanics · Physics 2013-03-21 Yu. M. Poluektov
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