Article
Computer Science, Interdisciplinary Applications
Yulong Shen, Nengji Zhou
Summary: With the use of a generalized trial wave function, this study accurately determines the transition points and critical exponents in the sub-Ohmic spin-boson model and confirms the quantum-to-classical correspondence. Mean-field and non-mean-field critical behaviors are found in deep and shallow sub-Ohmic regimes, respectively.
COMPUTER PHYSICS COMMUNICATIONS
(2023)
Review
Chemistry, Multidisciplinary
Yang Zhao, Kewei Sun, Lipeng Chen, Maxim Gelin
Summary: This review provides an overview of the hierarchy of Davydov's Ansatze and its applications in computational physical chemistry, discussing the development and different types of Ansatze with varying complexities. The article also delves into the time-dependent variational formalism and finite-temperature dynamics of Davydov's Ansatze.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
(2022)
Article
Materials Science, Multidisciplinary
Stefan Kuehn, Felix Gerken, Lena Funcke, Tobias Hartung, Paolo Stornati, Karl Jansen, Thore Posske
Summary: This study numerically identifies two classes of highly stable quantum spin helices and demonstrates the influence of rotation direction (clockwise or counterclockwise) on their stability. These findings provide a promising protection mechanism for stabilizing helical quantum structures.
Article
Physics, Multidisciplinary
Xiaohui Qian, Congzhi Zeng, Nengji Zhou
Summary: This study conducts large-scale numerical simulations based on the variational principle to accurately study dissipative quantum phase transitions in the Ohmic spin-boson model. The validity of variational calculations, spontaneous breakdown of symmetries, and quantum fluctuations are carefully analyzed, while quantum criticality of the Ohmic bath is uncovered both in the delocalized phase and at the transition point.
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
(2021)
Article
Nanoscience & Nanotechnology
Minkyung Kim, Dasol Lee, Yeseul Kim, Junsuk Rho
Summary: In this study, an explicit analytic formula for the spin Hall shift under arbitrarily polarized incidence is derived, and it is demonstrated that the spin Hall shift can be enhanced by using polarization degree of freedom. This analytic formula helps us understand the spin Hall effect under general polarization and achieve unprecedented modulation.
Article
Chemistry, Multidisciplinary
Kyung Gook Cho, Demetra Z. Adrahtas, Keun Hyung Lee, Carl Daniel Frisbie
Summary: This study examines the relationship between hole density and conductivity in electrochemically gated polythiophene films. The films are integrated into electrolyte-gated transistors, enabling electrochemical modulation of hole accumulations. It is found that all six polythiophene semiconductors exhibit reversible conductivity peaks at 0.12-0.15 hpr and conductivity is suppressed beyond approximately 0.4 hpr.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Christopher M. Langlett, Shenglong Xu
Summary: This work introduces a family of spin-1/2 many-body Hamiltonians based on the Fredkin spin chain, featuring a fragmented Hilbert space and quantum many-body scars. Exact middle spectrum eigenstates are constructed to demonstrate logarithmic or area-law entanglement entropy within each fractured subsector. The interplay between fragmentation and scarring results in rich tunable nonergodic dynamics.
Article
Materials Science, Multidisciplinary
S. S. Babkin, I. S. Burmistrov
Summary: The scaling of various local observables at Anderson transition criticality with system size is characterized by a generalized multifractality. We study the generalized multifractality in the presence of interaction in the spin quantum Hall symmetry class. Using the Finkel'stein nonlinear sigma model, we construct pure scaling derivativeless operators and analyze their anomalous dimensions within the two-loop renormalization group analysis. We find that the interaction affects the anomalous dimensions and breaks exact symmetry relations between generalized multifractal exponents known for a noninteracting problem.
Article
Physics, Particles & Fields
Wei Wang, Yi Qiao, Junpeng Cao, Wu-Ming Liu, Rong-Hua Liu
Summary: A novel Bethe ansatz scheme is proposed to investigate the physical properties of a quantum spin chain with competing interactions. Based on the exact solution, various properties such as energy, density, and dispersion relations are calculated.
Article
Physics, Multidisciplinary
Jonas F. Karcher, Noah Charles, Ilya A. Gruzberg, Alexander D. Mirlin
Summary: This study investigates the generalized multifractality at Anderson-localization critical points, focusing on the spin quantum Hall transition, and comparing it with the conventional integer quantum Hall transition. Using the field-theoretical formalism of non-linear sigma-model, the pure-scaling operators representing generalizing multifractality are derived and validated through numerical simulations on network models. Remarkably, the results show strong violation of local conformal invariance at the spin quantum Hall critical point.
Article
Physics, Multidisciplinary
Ke Yang, Ning-Hua Tong
Summary: Using the full-density matrix numerical renormalization group method, we calculated the equilibrium dynamical correlation function of the sub-ohmic spin-boson model at finite temperature. A peak was observed at a frequency similar to the temperature. The curve gradually merges with the zero-temperature curve as the frequency increases.
Article
Chemistry, Physical
Thom H. Dunning, Lu T. Xu, David L. Cooper, Peter B. Karadakov
Summary: SCGVB theory serves as a comprehensive foundation for understanding the electronic structure of molecules, offering significant insights into molecular structures, energetics, and properties, as well as providing new perspectives on the nature of bonds in molecules.
JOURNAL OF PHYSICAL CHEMISTRY A
(2021)
Article
Chemistry, Physical
F. Sacchetta, D. Graf, H. Laqua, M. A. Ambroise, J. Kussmann, A. Dreuw, C. Ochsenfeld
Summary: This article presents an atomic-orbital reformulation of the coupled cluster model, extending its applicability to molecules with hundreds of atoms and triple-zeta basis sets. The method achieves sub-quadratic computational scaling through sparse linear algebra and an attenuated Coulomb metric, while reducing the prefactor with Cholesky decomposition of the density matrix.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Jiaxin Ning, Donald G. Truhlar
Summary: Cerium plays crucial roles in catalysis due to spin-orbit coupling and open-shell effects, making quantum mechanical calculations challenging. Various multiconfigurational and single-configurational methods were used to study the spin states of Ce+ and the bond energy of CeH+. CASPT2 and GAM methods were found to be the most accurate in predicting the excitation energy and bond energy for Ce+ and CeH+, respectively.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2021)
Article
Physics, Multidisciplinary
Julen S. Pedernales, Kirill Streltsov, Martin B. Plenio
Summary: Feynman suggested in 1957 that the quantum or classical nature of gravity can be evaluated through testing the gravitational interaction of source masses in superposition. However, the weakness of this interaction in proposed matter-wave interferometry experiments requires special initial states. This study tackles the challenge by using a massive body as an amplifying mediator, resulting in a stronger and independent interaction between test systems.
PHYSICAL REVIEW LETTERS
(2022)
Article
Multidisciplinary Sciences
F. Caycedo-Soler, A. Mattioni, J. Lim, T. Renger, S. F. Huelga, M. B. Plenio
Summary: Numerically exact simulations reveal that multimode vibronic mixing in model photosynthetic systems strongly affects optical responses and facilitates coherent dynamics. The generation, transport, and trapping of excitons in pigment-protein complexes (PPCs) are crucial for photosynthesis. The inclusion of full multi-mode vibronic dynamics in numerical calculations of linear spectra leads to significant corrections to electronic parameter estimation. These effects are relevant to the discussion on the origin of long-lived oscillations in multidimensional nonlinear spectra.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Yingke Wu, Priyadharshini Balasubramanian, Zhenyu Wang, Jaime A. S. Coelho, Mateja Prslja, Reiner Siebert, Martin B. Plenio, Fedor Jelezko, Tanja Weil
Summary: This study demonstrates the use of sub-10 nm-sized fluorescent nanodiamonds as catalysts for the decomposition of H2O2 and the production of radical intermediates at the nanoscale. The nitrogen-vacancy quantum sensors inside the nanodiamonds are employed to quantify these radicals. This method can be used as self-reporting H2O2 sensors with molecular-level sensitivity and nanoscale spatial resolution.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Physics, Multidisciplinary
Felix Ahnefeld, Thomas Theurer, Dario Egloff, Juan Mauricio Matera, Martin B. Plenio
Summary: In this paper, we investigate a sequential variant of Shor's algorithm and quantitatively explore the role of coherence. By using the framework of dynamical resource theories, we determine the lower and upper bounds of the success probability of the protocol and find that coherence is the quantum resource that determines its performance within the fixed structure considered.
PHYSICAL REVIEW LETTERS
(2022)
Article
Physics, Multidisciplinary
Alexander Nuesseler, Dario Tamascelli, Andrea Smirne, James Lim, Susana F. Huelga, Martin B. Plenio
Summary: We utilize chain mapping transformations to identify a set of modes that capture the characteristic features of the environment, and propose a Markovian closure method to replace the infinite residual bath modes, which leads to faster computation and reduced memory requirement. The application of the Markovian closure is demonstrated in linear and nonlinear spectral response calculations.
PHYSICAL REVIEW LETTERS
(2022)
Article
Physics, Multidisciplinary
Evan Meyer-Scott, Nidhin Prasannan, Ish Dhand, Christof Eigner, Viktor Quiring, Sonja Barkhofen, Benjamin Brecht, Martin B. Plenio, Christine Silberhorn
Summary: This study demonstrates the scalable generation of multiphoton entangled states by utilizing active feed-forward and multiplexing, increasing the generation rates and facilitating practical multiphoton protocols for photonic quantum technologies.
PHYSICAL REVIEW LETTERS
(2022)
Article
Physics, Mathematical
Giovanni Ferrari, Ludovico Lami, Thomas Theurer, Martin B. Plenio
Summary: In this study, we examine asymptotic state transformations in continuous variable quantum resource theories. We prove that lower semicontinuity and strong superadditivity can be used to bound asymptotic transformation rates in these settings. We provide applications to optical nonclassicality, entanglement, and quantum thermodynamics resource theories. Our findings offer computable upper bounds for asymptotic transformation rates, including those achievable with linear optical elements.
COMMUNICATIONS IN MATHEMATICAL PHYSICS
(2023)
Article
Chemistry, Physical
Clemens Vittmann, James Lim, Dario Tamascelli, Susana F. Huelga, Martin B. Plenio
Summary: This study examines the role of delocalized phonon modes in electron transport in chiral structures and demonstrates that spin selectivity can originate from spin-dependent energy and momentum conservation in electron-phonon scattering events. The degree of spin polarization, however, depends on environmental factors and the presence of external driving fields. The parametric dependence allows for experimentally testable predictions of the model.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Mathematics, Applied
Andrea Smirne, Dario Tamascelli, James Lim, Martin B. Plenio, Susana F. Huelga
Summary: In this study, we determine the conditions for the equivalence between the multi-time expectation values of a general finite-dimensional open quantum system when interacting with different environments. This non-perturbative evaluation of multi-time expectation values allows for the investigation of open-system multi-time quantities in fully general regimes.
OPEN SYSTEMS & INFORMATION DYNAMICS
(2022)
Article
Quantum Science & Technology
C. Munuera-Javaloy, R. Puebla, B. D'Anjou, M. B. Plenio, J. Casanova
Summary: This article presents a new method for detecting molecular conformational changes using nitroxide electron-spin labels and a nitrogen-vacancy center in diamond. By applying microwave and radiofrequency pulses carefully, stable nitroxide resonances can be achieved. The article also proposes an optimized scheme by using nitroxides with distinct nitrogen isotopes. Additionally, a simple theoretical model is developed and combined with Bayesian inference techniques to demonstrate the ability to detect conformational changes in ambient conditions and extract inter-label distances using the residual effect of random molecular tumbling.
NPJ QUANTUM INFORMATION
(2022)
Article
Physics, Multidisciplinary
Patrick Barthel, Patrick H. Huber, Jorge Casanova, Inigo Arrazola, Dorna Niroomand, Theeraphot Sriarunothai, Martin B. Plenio, Christof Wunderlich
Summary: We demonstrate the experimental implementation of a two-qubit phase gate using a radio frequency controlled trapped-ion quantum processor. The gate is generated by applying a pulsed dynamical decoupling sequence to the ions' carrier transitions, allowing for tunable and high-fidelity phase shift. The gate's performance is robust against various sources of error and holds potential for fast gate speeds.
NEW JOURNAL OF PHYSICS
(2023)
Article
Physics, Multidisciplinary
Alejandro D. Somoza, Nicola Lorenzoni, James Lim, Susana F. Huelga, Martin B. Plenio
Summary: The role of vibrational motion in the charge dynamics of donor-acceptor networks in organic photovoltaics is investigated using non-perturbative simulations. The study addresses the challenge of simulating large electronic-vibrational systems and identifies conditions under which underdamped vibrational motion induces efficient charge separation. The results provide insights into coupling mechanisms and the role of entropic effects, offering a toolbox for designing efficient charge separation pathways in artificial nanostructures.
COMMUNICATIONS PHYSICS
(2023)
Article
Physics, Multidisciplinary
Alastair Marshall, Thomas Reisser, Phila Rembold, Christoph Mueller, Jochen Scheuer, Martin Gierse, Tim Eichhorn, Jakob M. Steiner, Patrick Hautle, Tommaso Calarco, Fedor Jelezko, Martin B. Plenio, Simone Montangero, Ilai Schwartz, Matthias M. Mueller, Philipp Neumann
Summary: This paper utilizes photoexcited triplet state of pentacene-doped naphthalene crystals to polarize surrounding protons and enhance nuclear magnetic resonance signals. Optimal control pulses designed with REDCRAB and a strategy called ARISE are introduced to improve the performance of hyperpolarization sequences.
PHYSICAL REVIEW RESEARCH
(2022)
Article
Optics
Julen S. Pedernales, Martin B. Plenio
Summary: This study designs a method that utilizes spatial correlations to reduce the impact of perturbations from distant sources on the visibility of matter-wave interference patterns, and develops a general framework for correcting the multipole expansion of environmental potential fields. This method works for stochastic field fluctuations at any timescale and does not require quantum correlations.
Article
Quantum Science & Technology
Theodoros Ilias, Dayou Yang, Susana F. Huelga, Martin B. Plenio
Summary: This study proposes a protocol for criticality-enhanced sensing by continuously observing the emitted radiation quanta. The study establishes a scaling theory for the global quantum Fisher information and derives universal scaling laws related to critical exponents. The findings suggest that the precision scaling of continuous detection of emitted quanta exceeds that of direct measurement, indicating the metrological value of this approach in dissipative criticality.
