Article
Optics
G. Vanhaele, P. Schlagheck
Summary: Theoretical investigation was conducted on the generation of microscopic atomic NOON states via collective tunneling of interacting ultracold bosonic atoms within a symmetric double-well potential. Periodic driving of the double well can substantially boost the tunneling process without altering its collective character, reducing the timescale to generate the NOON superposition. Resonance- and chaos-assisted tunneling are key mechanisms in this context.
Article
Chemistry, Physical
Romain Botella, Andrey A. Kistanov
Summary: To date, vibrational simulation results have been mainly used as experimental support rather than predictive tools due to the discreteness of the simulated vibrational modes caused by quantization. In this study, we propose a method to combine outputs from ab initio simulations, such as the phonon density of states surrogate and peak intensities, to enable comparison with experimental data using machine learning. This work opens up possibilities for using simulated vibrational spectra to identify materials with defined stoichiometry, allowing for the separation of genuine vibrational features from morphological and defect-induced signals.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Optics
L. Ferialdi, L. Diosi
Summary: Wick's theorem provides a connection between time ordered products of bosonic or fermionic fields, and their normal ordered counterparts. The general Wick's theorem is established for both bosonic and fermionic operators, with the surprising result that it is independent of the type of operator involved. By using a few examples, it is shown how the GWT can help reduce the amount of calculations required to solve demanding problems.
Article
Chemistry, Physical
Dmitry A. Fedorov, Matthew J. Otten, Stephen K. Gray, Yuri Alexeev
Summary: The paper introduces a method for running AIMD simulations on NISQ-era quantum computers, utilizing numerical calculation of energy gradients and correlated sampling technique with additional classical computations. The method has been successfully demonstrated for the H2 molecule on IBM quantum devices, and shown to be valid for larger molecules using full configuration interaction wave functions as quantum hardware and noise mitigation techniques improve.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Multidisciplinary Sciences
Jeng-Yuan Tsai, Jinbo Pan, Hsin Lin, Arun Bansil, Qimin Yan
Summary: The study identifies suitable defect centers in two-dimensional transition metal dichalcogenides and assesses their potential as solid-state spin qubits through high-throughput simulations. The authors show that these atomically thin materials offer a new platform for scalable qubit fabrication and operation at room temperature. The presence of neutral antisite defects in the transition metal dichalcogenides is found to enable controllable spin qubits with a paramagnetic triplet ground state.
NATURE COMMUNICATIONS
(2022)
Article
Physics, Fluids & Plasmas
Nikhil Gupt, Srijan Bhattacharyya, Arnab Ghosh
Summary: This study presents a unified framework for generalizing the finite-time thermodynamic behavior of bosonic and fermionic Stirling cycles, treating working fluids obeying different statistics equally. By modeling particles as noninteracting oscillators, the study provides interesting generalizations for heat and work definitions, applicable to classical and nonclassical fluids. Results on heat transfer rates at low and high temperatures are derived, showcasing the thermodynamic equivalence between two types of Stirling cycles in the low-temperature quantum regime.
Article
Mechanics
Thomas Barthel, Yikang Zhang
Summary: This article investigates the dynamics of Markovian open quantum systems, deriving the equation of motion for the covariance matrix in quasi-free systems. The use of ladder super-operators allows for the transformation of the Liouvillian to a many-body Jordan normal form, uncovering the full many-body spectrum. The article extends previous work, treating fermionic and bosonic systems equally and covering additional phenomena such as non-diagonalizable Liouvillians and quadratic systems.
JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT
(2022)
Article
Chemistry, Physical
Andres Montoya-Castillo, Thomas E. Markland
Summary: This paper investigates the dynamics of many-body fermionic systems and derives conditions under which fermionic operators can be replaced by bosonic operators while still capturing the correct dynamics of n-body operators. The analysis provides a guide on how to calculate single- and multi-time correlation functions essential in describing transport and spectroscopy using these simple maps. The applicability of Cartesian maps in capturing correct fermionic dynamics in select models of nanoscopic transport is rigorously analyzed and illustrated with exact simulations of the resonant level model.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Jing Sun, Sudip Sasmal, Oriol Vendrell
Summary: The original Meyer-Miller Hamiltonian is applied to map fermionic quantum dynamics to classical equations of motion. For non-interacting systems, the Jordan-Wigner transform does not lead to any improvement in the performance of mappings for fermionic systems. The classical mappings are able to capture interference effects, both constructive and destructive, originating from equivalent energy transfer pathways in the models.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Physics, Multidisciplinary
Denitsa R. Baykusheva, Mona H. Kalthoff, Damian Hofmann, Martin Claassen, Dante M. Kennes, Michael A. Sentef, Matteo Mitrano
Summary: The applicability of using entanglement witnesses and operator-specific quantum bounds to diagnose many-body entanglement in condensed matter systems is investigated. The study focuses on detecting entangled states in quantum systems driven out of equilibrium. The dynamics of a fermion chain undergoing a time-dependent change of the Coulomb interaction is studied using the multipartite entanglement witness, the quantum Fisher information. The results show that the quantum Fisher information can witness distinct signatures of multipartite entanglement both near and far from equilibrium, and these signatures are robust against decoherence. The findings have implications for probing entanglement in light-driven quantum materials with time-resolved optical and x-ray scattering methods.
PHYSICAL REVIEW LETTERS
(2023)
Article
Chemistry, Physical
Dmitrii Semenok, Di Zhou, Alexander G. Kvashnin, Xiaoli Huang, Michele Galasso, Ivan A. Kruglov, Anna G. Ivanova, Alexander G. Gavriliuk, Wuhao Chen, Nikolay Tkachenko, Alexander Boldyrev, Ivan Troyan, Artem R. Oganov, Tian Cui
Summary: A joint experimental-theoretical investigation revealed novel magnetic Eu superhydrides with distinct magnetic orderings and phase transitions. The study showed that the atomic radius plays a significant role in the symmetry-breaking distortions and thermodynamic stability of superhydrides, as evidenced by close agreement between experimental data and predictions based on the DFT+U approach.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Physics, Fluids & Plasmas
Gabriella G. Damas, Rogerio J. de Assis, Norton G. de Almeida
Summary: This paper investigates a quantum refrigerator operating with bosonic or fermionic thermal reservoirs, and demonstrates the advantages of fermionic reservoirs over bosonic ones.
Article
Chemistry, Physical
Adrien Devolder, Timur V. Tscherbul, Paul Brumer
Summary: This study investigates the coherent control of ultracold molecule-molecule scattering influenced by a dense set of rovibrational resonances. A simple model based on multichannel quantum defect theory is used to characterize the resonance spectrum and analyze the control of scattering cross section and reaction rate. The results show that complete control is possible around resonance energies, but thermal averaging reduces the control range of reaction rates due to the random distribution of optimal control parameters among resonances. Measuring the extent of coherent control can provide meaningful information about the relative contribution of direct scattering versus collision complex formation and the statistical regime.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Physical
Yaling Ke, Raffaele Borrelli, Michael Thoss
Summary: This article extends the hierarchical equations of motion approach combined with the matrix product state representation to nonequilibrium scenarios of open quantum systems coupled with a hybrid fermionic and bosonic environment. By reformulating the hierarchical equations of motion and applying tensor decomposition, accurate simulations of non-equilibrium quantum dynamics in larger and more complex systems are achieved.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Physics, Multidisciplinary
Hadiseh Alaeian, Berislav Buca
Summary: In this study, by utilizing modulated dynamical symmetries, the existence of multistability in the presence of quantum fluctuations is exactly proven in a driven-dissipative fermionic chain. Unlike the mean-field level, the quantum fluctuations themselves exhibit multistability.
COMMUNICATIONS PHYSICS
(2022)
Article
Physics, Multidisciplinary
Jie Chen, Simeon Mistakidis, Peter Schmelcher
Summary: In this study, we investigate the polaronic properties of a single impurity immersed in a weakly interacting bosonic environment confined within a one-dimensional double-well potential using an exact diagonalization approach. We find that the occurrence of the polaron orthogonality catastrophe is signified by a vanishing residue with an increase of the impurity-bath coupling. We obtain the asymptotic configurations of the systems' ground state wave function in the strongly interacting regime by means of a Schmidt decomposition, which accounts for the observed orthogonality catastrophe of the polaron.
NEW JOURNAL OF PHYSICS
(2022)
Article
Physics, Multidisciplinary
Fabian Brauneis, Timothy G. Backert, Simeon Mistakidis, Mikhail Lemeshko, Hans-Werner Hammer, Artem G. Volosniev
Summary: In this study, we investigate the ground-state properties of weakly repulsive one-dimensional bosons in the presence of an attractive zero-range impurity potential. We find that there are two cases: all bosons are bound to the impurity or all bosons are in a scattering state, and we derive the critical line that separates these cases in the parameter space. The critical line determines the maximum number of bosons that can be bound by the impurity potential in the thermodynamic limit, forming an artificial atom.
NEW JOURNAL OF PHYSICS
(2022)
Article
Physics, Multidisciplinary
Ansgar Siemens, Peter Schmelcher
Summary: This study investigates the classical equilibrium properties and metamorphosis of the ground state of interacting dipoles with fixed locations. The dipoles form separate intertwined chains which can be tuned by geometrical parameters, resulting in a self-similar bifurcation diagram linked to the Stern-Brocot tree and the Farey sequence.
JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL
(2022)
Article
Optics
Jie Chen, Simeon Mistakidis, Peter Schmelcher
Summary: We investigate the correlated quantum quench dynamics of a single impurity immersed in a bosonic environment confined in a one-dimensional double-well potential. By analyzing the time-evolved many-body wave function, we find that a two-fold fragmented many-body state is dynamically formed when the impurity interacts with the non-interacting bosonic bath. However, increasing the strength of the impurity-bath coupling leads to the destruction of the two-fold fragmentation due to additional inter-band excitation dynamics.
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
(2023)
Article
Physics, Multidisciplinary
Vasil Rokaj, Simeon I. Mistakidis, H. R. Sadeghpour
Summary: Cavity quantum electrodynamics allows manipulation and control of light-matter interactions by engineering polariton quasiparticles. This study focuses on collective phenomena in a system of multiple particles coupled to a homogeneous cavity vacuum field. The collective interaction with the cavity field gives rise to emergent polariton states and enhanced localization in the matter ground state density. Moreover, the light-matter interaction leads to modifications in the photonic properties of the polariton system, including the population of bunched photons and the necessity of the diamagnetic A2 term for system stability. The coherent transfer of polaritonic population can be achieved through an external magnetic field and monitoring the Landau-Zener transition probability.
Article
Physics, Multidisciplinary
Ceren B. Dag, Simeon I. Mistakidis, Amos Chan, H. R. Sadeghpour
Summary: In quantum chaotic systems, the spectral form factor (SFF) follows random matrix theory (RMT) predictions, with a 'ramp' followed by a 'plateau' in late times. However, recent studies have shown a deviation from RMT known as the 'bump' in random quantum circuits. This study demonstrates the 'bump-ramp-plateau' behavior in several one-dimensional cold-atom models and investigates the sensitivity of the scaling and bump amplitude to atom number.
COMMUNICATIONS PHYSICS
(2023)
Article
Optics
G. C. Katsimiga, S. I. Mistakidis, G. N. Koutsokostas, D. J. Frantzeskakis, R. Carretero-Gonzalez, P. G. Kevrekidis
Summary: We investigate the existence and stability properties of dark soliton solutions in homonuclear symmetric Bose mixtures, extending from trapped quantum droplets to the Thomas-Fermi limit. Using phase-plane analysis, we identify the existence regimes of different types of quantum droplets and explore the possibility of black and gray solitons and kink-type structures. We also determine the oscillation frequency of a single dark soliton in the Gross-Pitaevskii model and find that multisoliton configurations exhibit oscillatory instabilities.
Article
Optics
I. A. Englezos, S. I. Mistakidis, P. Schmelcher
Summary: We study one-dimensional harmonically confined quantum droplets in two-component mixtures using a nonperturbative approach. In symmetric homonuclear settings, beyond-Lee-Huang-Yang correlations result in flat-top droplet configurations for decreasing intercomponent attraction or larger atom number. Asymmetric mixtures feature spatial mixing and the more strongly interacting or heavier component exhibits flat-top structures. Quenches on the harmonic trap trigger the lowest-lying collective droplet excitations, and the interaction-dependent breathing frequency shows a decreasing trend for stronger attractions. Predictions within the Lee-Huang-Yang framework are obtained. Relatively large quench amplitudes cause delocalization of the droplet, higher-lying motional excitations in its core, enhanced intercomponent entanglement, and long-range correlations. In contrast, the dipole motion remains robust. Species-selective quenches lead to dephasing or irregular dipole patterns due to intercomponent collisions.
Article
Optics
Daniel J. Bosworth, Frederic Hummel, Peter Schmelcher
Summary: We show that the recently observed long-range ion-Rydberg molecules can be split into two families with unique electronic structures resulting from the ion-induced admixture of different Rydberg nP states. We predict that these molecular states can bind additional ground-state atoms, forming charged ultralong-range Rydberg molecules with similar binding energies as nonpolar ULRMs. This has been demonstrated by considering a Rydberg atom interacting with a single ground-state atom and an ion, breaking the system's symmetry and leading to mixing between decoupled states.
Article
Optics
G. C. Katsimiga, S. I. Mistakidis, K. Mukherjee, P. Schmelcher, P. G. Kevrekidis
Summary: This paper investigates the existence, stability, and quench-induced dynamics of vortex-bright type excitations in two-dimensional harmonically confined spin-1 Bose-Einstein condensates. Linearly stable vortex-bright-vortex and bright-vortex-bright solutions occur in both antiferromagnetic and ferromagnetic spinor gases with variations in the quadratic Zeeman energy shift. The deformations of these solutions during relevant transitions are discussed, revealing that emergent instabilities can lead to pattern formation. The study also unveils spatial elongations, precessional motion, and spiraling of the nonlinear excitations when exposed to finite temperatures and crossing distinct phase boundaries via quenching of the quadratic Zeeman coefficient. Spin-mixing processes triggered by the quench result in changes in the waveform of the configurations. The findings highlight the interplay between pattern formation and spin-mixing processes in contemporary cold atom experiments.
Article
Optics
Xiang Gao, Ya-Fen Cai, Shao-Jun Li, Shou-Long Chen, Xue-Ting Fang, Qian-Ru Zhu, Lushuai Cao, Peter Schmelcher, Zhong-Kun Hu
Summary: Magnetic monopoles have been observed as quasiparticles in condensed matter and ultracold atomic systems. This study explores the interaction between monopoles and magnons in an atomic pseudospin chain. The monopole excites a virtual magnon cloud in the chain, resulting in a unique type of polaron known as the monopole-cored polaron (MCP). The magnon dressing affects the monopole hopping and leads to an antitrapping effect, enhancing the mobility of the MCP.
Article
Physics, Atomic, Molecular & Chemical
Georgios M. Koutentakis, Simeon Mistakidis, Peter Schmelcher
Summary: Recent studies have shown that higher than two-body bath-impurity correlations are not crucial for quantitatively describing the ground state of the Bose polaron. In this study, the Gross Ansatz approach is used to investigate the stationary and dynamical properties of the one-dimensional Bose-polarn with different impurity momenta and bath-impurity couplings. The results demonstrate the transition of the equilibrium state from the quasi-particle Bose polaron regime to the collective-excitation stationary dark-bright soliton with varying impurity momentum and interactions. The temporal orthogonality catastrophe is observed after an interspecies interaction quench, provided that bath-impurity interactions are stronger than intraspecies bath ones. This catastrophe is caused by the formation of dispersive shock wave structures associated with the zero-range character of the bath-impurity potential. Additionally, a momentum transfer process from the impurity to the dispersive shock waves via the exerted drag force is demonstrated for initially moving impurities, resulting in a final polaronic state with reduced velocity.
