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Related papers: Quantum Indistinguishability in Chemical Reactions

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Machine learning advances chemistry and materials science by enabling large-scale exploration of chemical space based on quantum chemical calculations. While these models supply fast and accurate predictions of atomistic chemical…

Chemical Physics · Physics 2019-06-25 K. T. Schütt , M. Gastegger , A. Tkatchenko , K. -R. Müller , R. J. Maurer

Understanding thermodynamics far from equilibrium at the quantum scale remains a fundamental challenge, particularly in the presence of quantum coherence. Here we develop a first-principles framework for nonequilibrium quantum…

Quantum Physics · Physics 2026-02-11 Md Manirul Ali , Po-Wen Chen

To operate quantum sensors at their quantum limit in real time, it is crucial to identify efficient data inference tools for rapid parameter estimation. In photodetection, the key challenge is the fast interpretation of click-patterns that…

Quantum Physics · Physics 2026-02-24 Mateusz Molenda , Lewis A. Clark , Marcin Płodzień , Jan Kolodynski

Chemical reaction prediction remains a fundamental challenge in organic chemistry, where existing machine learning models face two critical limitations: sensitivity to input permutations (molecule/atom orderings) and inadequate modeling of…

Machine Learning · Computer Science 2026-02-03 Runhan Shi , Letian Chen , Gufeng Yu , Yang Yang

Quantum chemistry often considers atoms and molecules with non-zero spin. In such cases, the need for proper spin functions results in the theory of configuration state functions. Here, we consider the construction of such wavefunctions…

Chemical Physics · Physics 2019-04-25 Sahil Gulania , James Daniel Whitfield

Coherence arises from the superposition principle, where it plays a central role in quantum mechanics. In [Phys.Rev.Lett.114,210401(2015)], it has been shown that the freezing phenomenon of quantum correlations beyond entanglement, is…

The characterization of mixtures of non-interacting, spectroscopically similar quantum components has important applications in chemistry, biology, and materials science. We introduce an approach based on quantum tracking control that…

Quantum Physics · Physics 2022-01-26 Alicia B. Magann , Gerard McCaul , Herschel A. Rabitz , Denys I. Bondar

We suggest a new method for quantum optical control with nanoscale resolution. Our method allows for coherent far-field manipulation of individual quantum systems with spatial selectivity that is not limited by the wavelength of radiation…

Quantum Physics · Physics 2008-03-10 Alexey V. Gorshkov , Liang Jiang , Markus Greiner , Peter Zoller , Mikhail D. Lukin

Plasma physics give an example of physical system of particles with the long range interaction. At small velocity of particles we can consider the plasma approximately as a system of particles with the Coulomb interaction. The Coulomb…

Plasma Physics · Physics 2015-04-10 P. A. Andreev

Quantum coherence, rooted in the superposition principle of quantum mechanics, is a crucial quantum resource. Various measures, operational interpretations, and generalizations of quantum coherence have been proposed. In recent years, its…

Quantum Physics · Physics 2025-04-22 Hai Wang , Ujjwal Sen

The quantum wave-function of a massive particle with small initial uncertainties (consistent with the uncertainty relation) is believed to spread very slowly, so that the dynamics is deterministic. This assumes that the classical motions…

Quantum Physics · Physics 2015-09-18 Gregory L. Eyink , Theodore D. Drivas

We present a detailed study of the quantum dissipative dynamics of a charged particle in a magnetic field. Our focus of attention is the effect of dissipation on the low- and high-temperature behavior of the specific heat at constant…

Statistical Mechanics · Physics 2015-05-14 S. Dattagupta , Jishad Kumar , S. Sinha , P. A. Sreeram

Quantum interference takes center stage in the realm of quantum particles, playing a crucial role in revealing their wave-like nature and probabilistic behavior. It relies on the concept of superposition, where the probability amplitudes of…

Quantum Physics · Physics 2025-07-15 Sajad Ahmadi , Mohsen Akbari , Shahpoor Saeidian , Ali Motazedifard

This work is dedicated to the study of a supersymmetric quantum spherical spin system with short-range interactions. We examine the critical properties both a zero and finite temperature. The model undergoes a quantum phase transition at…

Statistical Mechanics · Physics 2020-02-24 L. V. T. Tavares , L. G. dos Santos , G. T. Landi , Pedro R. S. Gomes , P. F. Bienzobaz

Atomic nuclei are complex, quantum many-body systems whose structure manifests itself through intrinsic quantum states associated with different excitation modes or degrees of freedom. Collective modes (vibration and/or rotation) dominate…

Nuclear Theory · Physics 2015-05-19 Alexis Diaz-Torres

Quantum dissipation arises from the unavoidable coupling between a quantum system and its surrounding environment, which is known as a major obstacle in the quantum processing of information. Apart from its existence, how to trace the…

Quantum Physics · Physics 2022-08-17 Li Chen , Yadong Wu

Conservation principles are essential to describe and quantify dynamical processes in all areas of physics. Classically, a conservation law holds because the description of reality can be considered independent of an observation…

Quantum Physics · Physics 2021-03-24 Stanisław Sołtan , Mateusz Frączak , Wolfgang Belzig , Adam Bednorz

Recently probabilistic hysteresis in isolated Hamiltonian systems of ultracold atoms has been studied in the limit of large particle numbers, where a semiclassical treatment is adequate. The origin of irreversibility in these sweep…

Quantum Physics · Physics 2020-05-20 Ralf Bürkle , James R. Anglin

One of the fundamental questions in the emerging field of quantum thermodynamics is the role played by coherence in energetic processes that occur at the quantum level. Here, we address this issue by investigating two different quantum…

Quantum Physics · Physics 2021-01-04 Bertúlio de Lima Bernardo

Automatic differentiation represents a paradigm shift in scientific programming, where evaluating both functions and their derivatives is required for most applications. By removing the need to explicitly derive expressions for gradients,…

Chemical Physics · Physics 2022-06-29 Muhammad F. Kasim , Susi Lehtola , Sam M. Vinko