Article
Materials Science, Multidisciplinary
Natalia Chepiga, Ian Affleck, Frederic Mila
Summary: This study investigates the properties of a frustrated spin-5/2 chain with next-nearest-neighbor two- and three-site interactions, revealing the nature of the transition into the dimerized phase and the presence of a critical floating phase at intermediate values of the next-nearest-neighbor interaction. The research provides evidence for the nature of the phase transitions and the dimerization process induced by the interactions, with implications discussed for the iron oxide Bi3FeMo2O12.
Article
Materials Science, Multidisciplinary
Dmytro Tarasevych, Andreas Rueckriegel, Savio Keupert, Vasilios Mitsiioannou, Peter Kopietz
Summary: Using the functional renormalization group approach, we investigated the phase diagram of a frustrated quantum spin system and found that considering dynamic spin fluctuations and the renormalization of the four-spin interaction can estimate critical temperatures accurately.
Article
Materials Science, Multidisciplinary
A. Nocera, G. Alvarez
Summary: In this paper, we propose a method to compute spectral functions of generic Hamiltonians using the DMRG algorithm directly in the frequency domain. Our approach utilizes a modified Krylov-space decomposition to compute the correction vectors. We demonstrate that our method improves computational performance and achieves better spectral resolution compared to conventional correction-vector DMRG.
Review
Chemistry, Multidisciplinary
Jiajun Ren, Weitang Li, Tong Jiang, Yuanheng Wang, Zhigang Shuai
Summary: Simulations of spectroscopy and quantum dynamics are crucial for understanding electronic processes in complex systems. Time-dependent density matrix renormalization group (TD-DMRG) is an accurate and efficient method for high-dimensional full-quantum dynamics, capable of handling mixed state density matrices and enabling quantum statistical description.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
(2022)
Article
Computer Science, Interdisciplinary Applications
Heitor P. Casagrande, Dario Poletti, Gabriel T. Landi
Summary: This article introduces an implementation based on matrix product state and tensor network methods for studying the complex properties of one-dimensional quantum systems coupled to multiple reservoirs. The method produces accurate results and is suitable for studying thermal transport. Through a case study using the XXZ quantum spin chain, the effectiveness of the implementation is demonstrated.
COMPUTER PHYSICS COMMUNICATIONS
(2021)
Article
Materials Science, Multidisciplinary
Amartya Bose, Salvatore Torquato
Summary: The research shows that classical spin chains can lose hyperuniformity under specific conditions, which is significant for exploring the effects of quantum mechanics on hyperuniformity. Through density matrix renormalization group simulations, we find that these spin chains may exhibit first-order quantum phase transitions.
Article
Physics, Applied
Lizhen Hu, Yuliang Xu, Panpan Zhang, Shiwei Yan, Xiangmu Kong
Summary: In this paper, the spin ladder system consisting of two antiferromagnetic Heisenberg legs is studied using the density matrix renormalization group method and its matrix product state form. The energy density and bipartite entanglement are calculated and the effects of interleg couplings and open boundary conditions on entanglement distributions are examined. The results show that the entanglements are mainly distributed in legs and diagonals when the interleg couplings are ferromagnetic and in rungs when the couplings are antiferromagnetic. Moreover, the intraleg entanglements are more affected by the dimerization caused by open boundary conditions. Specifically, the interleg couplings weaken the dimerization and result in a more uniform distribution of entanglements.
MODERN PHYSICS LETTERS B
(2022)
Article
Materials Science, Multidisciplinary
Takuya Ito, Naokazu Shibata
Summary: The study focused on the edge states in fractional quantum Hall systems at filling factor nu = 1/3 using the density matrix renormalization group method. It was found that the density oscillation induced by local boundary conditions and the wave number of the minimum magnetoroton excitation play a key role in characterizing the edge structure. Additionally, changes in the confinement potential shape can lead to a partial reconstruction of this structure, while the stability of bulk states against variations in the number of electrons highlights the incompressibility of the bulk part of the fractional quantum Hall state.
Article
Physics, Multidisciplinary
Cong Fu, Hui Zhao, Yu-Guang Chen, Yong-Hong Yan
Summary: In this study, the critical properties of bond-alternating two-leg Heisenberg spin ladder were investigated using the density matrix renormalization group (DMRG) algorithm. Two types of spin systems, staggered dimerized antiferromagnetic ladder and columnar dimerized ferro-antiferromagnetic couplings ladder, were analyzed to establish the phase diagram accurately and give the fitting functions of the phase boundaries. Additionally, the phase transition of cross-coupled spin ladder without intrinsic dimerization was also discussed.
Article
Chemistry, Physical
Mikulas Matousek, Michal Hapka, Libor Veis, Katarzyna Pernal
Summary: A multiconfigurational adiabatic connection (AC) formalism is an attractive approach to compute the dynamic correlation within DMRG models. The study investigates the effect of removing the fixed-RDM approximation in AC and finds that lifting this approximation is a viable way toward improving the accuracy of existing AC approximations.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Quantum Science & Technology
Thomas Ayral, Thibaud Louvet, Yiqing Zhou, Cyprien Lambert, E. Miles Stoudenmire, Xavier Waintal
Summary: We present a density-matrix renormalization group (DMRG) algorithm for simulating quantum circuits. It extends the time-dependent DMRG algorithm from Hermitian Hamiltonian matrices to quantum circuits defined by unitary matrices. The technique is exact for small circuit depths and approximate for larger depths, but offers an exponential speed up in computational time. The fidelity of the DMRG results depends strongly on the quantum circuit, and the algorithm can generate high-quality bit strings even for the most difficult circuits.
Article
Astronomy & Astrophysics
Wei Tang, X. C. Xie, Lei Wang, Hong-Hao Tu
Summary: In this work, a tensor network simulation of the (1 + 1)-dimensional O(3) nonlinear sigma-model with a theta = pi term is performed. The finite-temperature properties of the model are studied using the matrix representation of a modified quantum rotor model decorated with magnetic monopoles, and the massless nature of the model is revealed. The central charge as a function of the coupling constant is directly extracted in the calculations and compared with field theory predictions.
Article
Materials Science, Multidisciplinary
Manodip Routh, Sudip Kumar Saha, Manoranjan Kumar, Zoltan G. Soos
Summary: The spin-1/2 chain with both ferromagnetic and antiferromagnetic exchanges exhibits different spin-Peierls instabilities depending on the frustration parameter. The magnetic properties of beta-TeVO4 can be explained by appropriate models and calculations.
Article
Physics, Multidisciplinary
Yang Shen, Mingpu Qin, Guang-Ming Zhang
Summary: High-Tc superconductivity with Tc approximately 80 K has been reported in the single crystal of La3Ni2O7 under high pressure. Based on density functional theory calculations, we propose a bi-layer model Hamiltonian that includes the 3d(z)(2) and 3d(x)(2)-y(2) orbital electrons of the nickel cations. Numerical calculations show the presence of superconducting instability in both the 3d(z)(2) and 3d(x)(2)-y(2) orbitals. These results provide valuable insights into the high-Tc superconductivity in single crystal La3Ni2O7 under high pressure.
CHINESE PHYSICS LETTERS
(2023)
Article
Chemistry, Physical
Leon Freitag, Leopold Lindenbauer, Markus Oppel, Leticia Gonzalez
Summary: A DMRG-SCF study was conducted to calculate low-lying excited states of a molybdenum complex with NO and CO ligands, revealing efficient selection of active space using maximum single-orbital entropy. Analysis indicated that the lowest five excited states involve excitation into metal-NO antibonding orbitals, potentially leading to nitric oxide photorelease, while higher excited states are metal-centered with contributions from metal-CO antibonding orbitals, possibly facilitating carbon monoxide delivery. Time-dependent density functional theory calculations showed good agreement in state characters but slight red-shifted excitation energies compared to DMRG-SCF results.
Article
Physics, Applied
Aneirin J. Baker, Gerhard B. P. Huber, Niklas J. Glaser, Federico Roy, Ivan Tsitsilin, Stefan Filipp, Michael J. Hartmann
Summary: In this study, a single shot method for executing an i-Toffoli gate using currently existing superconducting hardware is proposed. The method has demonstrated high process fidelity and fast gate time, and can be extended to implement gates with more than two control qubits at similar fidelities.
APPLIED PHYSICS LETTERS
(2022)
Article
Chemistry, Physical
Clemens Vittmann, R. Kevin Kessing, James Lim, Susana F. Huelga, Martin B. Plenio
Summary: This study investigates the nonequilibrium dynamics of electron transmission from a straight waveguide to a helix with spin-orbit coupling. Transmission is found to be spin-selective, leading to large spin polarizations of the itinerant electrons. The degree of spin selectivity depends on the width of the interface region, and no polarization is observed for single-point couplings. The study identifies interface structure and conservation of momentum as crucial factors for chiral-induced spin selectivity, and confirms the robustness of this mechanism against static disorder.
JOURNAL OF PHYSICAL CHEMISTRY 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
Quantum Science & Technology
Refik Mansuroglu, Timo Eckstein, Ludwig Nuetzel, Samuel A. Wilkinson, Michael J. Hartmann
Summary: In this work, a variational algorithm is introduced to predict efficient quantum circuits for time evolution of translationally invariant quantum systems using solutions of classical optimizations. This strategy can significantly improve upon the accuracy of Trotter-Suzuki approximation, reducing gate count and increasing overall fidelity. This is important in noisy intermediate scale quantum-applications where the fidelity decays exponentially with the number of gates.
QUANTUM SCIENCE AND TECHNOLOGY
(2023)
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.
Article
Optics
Giovanni Spaventa, Susana F. Huelga, Martin B. Plenio
Summary: This study combines the concepts of quantum resource theory and divisibility classes of quantum channels to prove that memory effects can increase the efficiency of photoisomerization, which is not achievable under purely thermal Markovian evolution. This provides rigorous evidence that memory effects can serve as a resource in quantum thermodynamics at the nanoscale.
Article
Materials Science, Multidisciplinary
Laszlo Berencei, William Barford, Stephen R. Clark
Summary: We present a hybrid quantum-classical simulation of charge-polaron transport in conjugated polymers. The charge and monomers are modeled using the time-dependent Schrodinger equation and the Ehrenfest equations of motion, respectively. The system is thermalized with Brownian fluctuations modeled by the Langevin equation. The study investigates different types of dynamics for low temperatures, including activationless polaron diffusion and hopping between diabatic states.
