Pub Date : 2024-07-31DOI: 10.1103/physrevx.14.031017
Hengyun Zhou, Haoyang Gao, Nathaniel T. Leitao, Oksana Makarova, Iris Cong, Alexander M. Douglas, Leigh S. Martin, Mikhail D. Lukin
Dynamical decoupling and Hamiltonian engineering are well-established techniques that have been used to control qubit systems. However, designing the corresponding methods for qudit systems has been challenging due to the lack of a Bloch sphere representation, more complex interactions, and additional control constraints. By identifying several general structures associated with such problems, we develop a formalism for the robust dynamical decoupling and Hamiltonian engineering of strongly interacting qudit systems. Our formalism significantly simplifies qudit pulse-sequence design while naturally incorporating robustness conditions necessary for experimental practicality. We experimentally demonstrate these techniques in a strongly interacting, disordered ensemble of spin-1 nitrogen-vacancy centers, achieving more than an order-of-magnitude improvement in coherence time over existing pulse sequences. We further describe how our techniques enable the engineering of exotic many-body phenomena such as quantum many-body scars, and open up new opportunities for quantum metrology with enhanced sensitivities. These results enable wide-reaching new applications for dynamical decoupling and Hamiltonian engineering in many-body physics and quantum metrology.
{"title":"Robust Hamiltonian Engineering for Interacting Qudit Systems","authors":"Hengyun Zhou, Haoyang Gao, Nathaniel T. Leitao, Oksana Makarova, Iris Cong, Alexander M. Douglas, Leigh S. Martin, Mikhail D. Lukin","doi":"10.1103/physrevx.14.031017","DOIUrl":"https://doi.org/10.1103/physrevx.14.031017","url":null,"abstract":"Dynamical decoupling and Hamiltonian engineering are well-established techniques that have been used to control qubit systems. However, designing the corresponding methods for qudit systems has been challenging due to the lack of a Bloch sphere representation, more complex interactions, and additional control constraints. By identifying several general structures associated with such problems, we develop a formalism for the robust dynamical decoupling and Hamiltonian engineering of strongly interacting qudit systems. Our formalism significantly simplifies qudit pulse-sequence design while naturally incorporating robustness conditions necessary for experimental practicality. We experimentally demonstrate these techniques in a strongly interacting, disordered ensemble of spin-1 nitrogen-vacancy centers, achieving more than an order-of-magnitude improvement in coherence time over existing pulse sequences. We further describe how our techniques enable the engineering of exotic many-body phenomena such as quantum many-body scars, and open up new opportunities for quantum metrology with enhanced sensitivities. These results enable wide-reaching new applications for dynamical decoupling and Hamiltonian engineering in many-body physics and quantum metrology.","PeriodicalId":20161,"journal":{"name":"Physical Review X","volume":null,"pages":null},"PeriodicalIF":12.5,"publicationDate":"2024-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141857804","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-30DOI: 10.1103/physrevx.14.031016
Qian Xu, Pei Zeng, Daohong Xu, Liang Jiang
Fault-tolerant quantum computation with bosonic qubits often necessitates the use of noisy discrete-variable ancillae. In this work, we establish a comprehensive and practical fault-tolerance framework for such a hybrid system and synthesize it with fault-tolerant protocols by combining bosonic quantum error correction (QEC) and advanced quantum control techniques. We introduce essential building blocks of error-corrected gadgets by leveraging ancilla-assisted bosonic operations using a generalized variant of path-independent quantum control. Using these building blocks, we construct a universal set of error-corrected gadgets that tolerate a single-photon loss and an arbitrary ancilla fault for four-legged cat qubits. Notably, our construction requires only dispersive coupling between bosonic modes and ancillae, as well as beam-splitter coupling between bosonic modes, both of which have been experimentally demonstrated with strong strengths and high accuracy. Moreover, each error-corrected bosonic qubit is comprised of only a single bosonic mode and a three-level ancilla, featuring the hardware efficiency of bosonic QEC in the full fault-tolerant setting. We numerically demonstrate the feasibility of our schemes using current experimental parameters in the circuit-QED platform. Finally, we present a hardware-efficient architecture for fault-tolerant quantum computing by concatenating the four-legged cat qubits with an outer qubit code utilizing only beam-splitter couplings. Our estimates suggest that the overall noise threshold can be reached using existing hardware. These developed fault-tolerant schemes extend beyond their applicability to four-legged cat qubits and can be adapted for other rotation-symmetrical codes, offering a promising avenue toward scalable and robust quantum computation with bosonic qubits.
{"title":"Fault-Tolerant Operation of Bosonic Qubits with Discrete-Variable Ancillae","authors":"Qian Xu, Pei Zeng, Daohong Xu, Liang Jiang","doi":"10.1103/physrevx.14.031016","DOIUrl":"https://doi.org/10.1103/physrevx.14.031016","url":null,"abstract":"Fault-tolerant quantum computation with bosonic qubits often necessitates the use of noisy discrete-variable ancillae. In this work, we establish a comprehensive and practical fault-tolerance framework for such a hybrid system and synthesize it with fault-tolerant protocols by combining bosonic quantum error correction (QEC) and advanced quantum control techniques. We introduce essential building blocks of error-corrected gadgets by leveraging ancilla-assisted bosonic operations using a generalized variant of path-independent quantum control. Using these building blocks, we construct a universal set of error-corrected gadgets that tolerate a single-photon loss and an arbitrary ancilla fault for four-legged cat qubits. Notably, our construction requires only dispersive coupling between bosonic modes and ancillae, as well as beam-splitter coupling between bosonic modes, both of which have been experimentally demonstrated with strong strengths and high accuracy. Moreover, each error-corrected bosonic qubit is comprised of only a single bosonic mode and a three-level ancilla, featuring the hardware efficiency of bosonic QEC in the full fault-tolerant setting. We numerically demonstrate the feasibility of our schemes using current experimental parameters in the circuit-QED platform. Finally, we present a hardware-efficient architecture for fault-tolerant quantum computing by concatenating the four-legged cat qubits with an outer qubit code utilizing only beam-splitter couplings. Our estimates suggest that the overall noise threshold can be reached using existing hardware. These developed fault-tolerant schemes extend beyond their applicability to four-legged cat qubits and can be adapted for other rotation-symmetrical codes, offering a promising avenue toward scalable and robust quantum computation with bosonic qubits.","PeriodicalId":20161,"journal":{"name":"Physical Review X","volume":null,"pages":null},"PeriodicalIF":12.5,"publicationDate":"2024-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141794883","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-29DOI: 10.1103/physrevx.14.031015
Zhaoyu Liu, Yue Shi, Qianni Jiang, Elliott W. Rosenberg, Jonathan M. DeStefano, Jinjin Liu, Chaowei Hu, Yuzhou Zhao, Zhiwei Wang, Yugui Yao, David Graf, Pengcheng Dai, Jihui Yang, Xiaodong Xu, Jiun-Haw Chu
Ever since the discovery of the charge density wave (CDW) transition in the kagome metal , the nature of its symmetry breaking has been under intense debate. While evidence suggests that the rotational symmetry is already broken at the CDW transition temperature (), an additional electronic nematic instability well below has been reported based on the diverging elastoresistivity coefficient in the anisotropic channel (). Verifying the existence of a nematic transition below is not only critical for establishing the correct description of the CDW order parameter, but also important for understanding low-temperature superconductivity. Here, we report elastoresistivity measurements of using three different techniques probing both isotropic and anisotropic symmetry channels. Contrary to previous reports, we find the anisotropic elastoresistivity coefficient is temperature independent, except for a step jump at . The absence of nematic fluctuations is further substantiated by measurements of the elastocaloric effect, which show no enhancement associated with nematic susceptibility. On the other hand, the symmetric elastoresistivity coefficient increases below , reaching a peak value of 90 at . Our results strongly indicate that the phase transition at
{"title":"Absence of E2g Nematic Instability and Dominant A1g Response in the Kagome Metal CsV3Sb5","authors":"Zhaoyu Liu, Yue Shi, Qianni Jiang, Elliott W. Rosenberg, Jonathan M. DeStefano, Jinjin Liu, Chaowei Hu, Yuzhou Zhao, Zhiwei Wang, Yugui Yao, David Graf, Pengcheng Dai, Jihui Yang, Xiaodong Xu, Jiun-Haw Chu","doi":"10.1103/physrevx.14.031015","DOIUrl":"https://doi.org/10.1103/physrevx.14.031015","url":null,"abstract":"Ever since the discovery of the charge density wave (CDW) transition in the kagome metal <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><msub><mrow><mi>CsV</mi></mrow><mrow><mn>3</mn></mrow></msub></mrow><mrow><msub><mrow><mi>Sb</mi></mrow><mrow><mn>5</mn></mrow></msub></mrow></math>, the nature of its symmetry breaking has been under intense debate. While evidence suggests that the rotational symmetry is already broken at the CDW transition temperature (<math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>T</mi><mrow><mi>CDW</mi></mrow></msub></math>), an additional electronic nematic instability well below <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>T</mi><mrow><mi>CDW</mi></mrow></msub></math> has been reported based on the diverging elastoresistivity coefficient in the anisotropic channel (<math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>m</mi><msub><mi>E</mi><mrow><mn>2</mn><mi>g</mi></mrow></msub></msub></math>). Verifying the existence of a nematic transition below <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>T</mi><mrow><mi>CDW</mi></mrow></msub></math> is not only critical for establishing the correct description of the CDW order parameter, but also important for understanding low-temperature superconductivity. Here, we report elastoresistivity measurements of <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><msub><mrow><mi>CsV</mi></mrow><mrow><mn>3</mn></mrow></msub></mrow><mrow><msub><mrow><mi>Sb</mi></mrow><mrow><mn>5</mn></mrow></msub></mrow></math> using three different techniques probing both isotropic and anisotropic symmetry channels. Contrary to previous reports, we find the anisotropic elastoresistivity coefficient <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>m</mi><msub><mi>E</mi><mrow><mn>2</mn><mi>g</mi></mrow></msub></msub></math> is temperature independent, except for a step jump at <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>T</mi><mrow><mi>CDW</mi></mrow></msub></math>. The absence of nematic fluctuations is further substantiated by measurements of the elastocaloric effect, which show no enhancement associated with nematic susceptibility. On the other hand, the symmetric elastoresistivity coefficient <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>m</mi><msub><mi>A</mi><mrow><mn>1</mn><mi>g</mi></mrow></msub></msub></math> increases below <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>T</mi><mrow><mi>CDW</mi></mrow></msub></math>, reaching a peak value of 90 at <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><msup><mi>T</mi><mo>*</mo></msup><mo>=</mo><mn>20</mn><mtext> </mtext><mtext> </mtext><mi mathvariant=\"normal\">K</mi></math>. Our results strongly indicate that the phase transition at <math display=\"inline\" xmlns=\"http://","PeriodicalId":20161,"journal":{"name":"Physical Review X","volume":null,"pages":null},"PeriodicalIF":12.5,"publicationDate":"2024-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141791076","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-24DOI: 10.1103/physrevx.14.031014
Joaquin F. Rodriguez-Nieva, Cheryne Jonay, Vedika Khemani
A characteristic feature of “quantum chaotic” systems is that their eigenspectra and eigenstates display universal statistical properties described by random matrix theory (RMT). However, eigenstates of local systems also encode structure beyond RMT. To capture this feature, we introduce a framework that allows us to compare the ensemble properties of eigenstates in local systems with those of pure random states. In particular, our framework defines a notion of distance between quantum state ensembles that utilizes the Kullback-Leibler divergence to compare the microcanonical distribution of entanglement entropy (EE) of eigenstates with a reference RMT distribution generated by pure random states (with appropriate constraints). This notion gives rise to a quantitative metric for quantum chaos that not only accounts for averages of the distributions but also higher moments. The differences in moments are compared on a highly resolved scale set by the standard deviation of the RMT distribution, which is exponentially small in system size. As a result, the metric can distinguish between chaotic and integrable behaviors and, in addition, quantify and compare the degree of chaos (in terms of proximity to RMT behavior) between two systems that are assumed to be chaotic. We implement our framework in local, minimally structured, Floquet random circuits, as well as a canonical family of many-body Hamiltonians, the mixed-field Ising model (MFIM). Importantly, for Hamiltonian systems, we find that the reference random distribution must be appropriately constrained to incorporate the effect of energy conservation in order to describe the ensemble properties of midspectrum eigenstates. The metric captures deviations from RMT across all models and parameters, including those that have been previously identified as strongly chaotic, and for which other diagnostics of chaos such as level spacing statistics look strongly thermal. In Floquet circuits, the dominant source of deviations is the second moment of the distribution, and this persists for all system sizes. For the MFIM, we find significant variation of the KL divergence in parameter space. Notably, we find a small region where deviations from RMT are minimized, suggesting that “maximally chaotic” Hamiltonians may exist in fine-tuned pockets of parameter space.
{"title":"Quantifying Quantum Chaos through Microcanonical Distributions of Entanglement","authors":"Joaquin F. Rodriguez-Nieva, Cheryne Jonay, Vedika Khemani","doi":"10.1103/physrevx.14.031014","DOIUrl":"https://doi.org/10.1103/physrevx.14.031014","url":null,"abstract":"A characteristic feature of “quantum chaotic” systems is that their eigenspectra and eigenstates display universal statistical properties described by random matrix theory (RMT). However, eigenstates of local systems also encode structure beyond RMT. To capture this feature, we introduce a framework that allows us to compare the <i>ensemble</i> properties of eigenstates in local systems with those of pure random states. In particular, our framework defines a notion of distance between quantum state ensembles that utilizes the Kullback-Leibler divergence to compare the microcanonical distribution of entanglement entropy (EE) of eigenstates with a reference RMT distribution generated by pure random states (with appropriate constraints). This notion gives rise to a quantitative metric for quantum chaos that not only accounts for averages of the distributions but also higher moments. The differences in moments are compared on a highly resolved scale set by the standard deviation of the RMT distribution, which is exponentially small in system size. As a result, the metric can distinguish between chaotic and integrable behaviors and, in addition, quantify and compare the <i>degree</i> of chaos (in terms of proximity to RMT behavior) between two systems that are assumed to be chaotic. We implement our framework in local, minimally structured, Floquet random circuits, as well as a canonical family of many-body Hamiltonians, the mixed-field Ising model (MFIM). Importantly, for Hamiltonian systems, we find that the reference random distribution must be appropriately constrained to incorporate the effect of energy conservation in order to describe the ensemble properties of midspectrum eigenstates. The metric captures deviations from RMT across all models and parameters, including those that have been previously identified as strongly chaotic, and for which other diagnostics of chaos such as level spacing statistics look strongly thermal. In Floquet circuits, the dominant source of deviations is the second moment of the distribution, and this persists for all system sizes. For the MFIM, we find significant variation of the KL divergence in parameter space. Notably, we find a small region where deviations from RMT are minimized, suggesting that “maximally chaotic” Hamiltonians may exist in fine-tuned pockets of parameter space.","PeriodicalId":20161,"journal":{"name":"Physical Review X","volume":null,"pages":null},"PeriodicalIF":12.5,"publicationDate":"2024-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141764026","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-22DOI: 10.1103/physrevx.14.031013
E. Donoway, T. V. Trevisan, A. Liebman-Peláez, R. P. Day, K. Yamakawa, Y. Sun, J. R. Soh, D. Prabhakaran, A. T. Boothroyd, R. M. Fernandes, J. G. Analytis, J. E. Moore, J. Orenstein, V. Sunko
Understanding and manipulating emergent phases, which are themes at the forefront of quantum-materials research, rely on identifying their underlying symmetries. This general principle has been particularly prominent in materials with coupled electronic and magnetic degrees of freedom, in which magnetic order influences the electronic band structure and can lead to exotic topological effects. However, identifying symmetry of a magnetically ordered phase can pose a challenge, particularly in the presence of small domains. Here we introduce a multimodal approach for determining magnetic structures, which combines symmetry-sensitive optical probes, scattering, and group-theoretical analysis. We apply it to , a material that has received attention as a candidate axion insulator. While first-principles calculations predict this state on the assumption of a simple collinear antiferromagnetic structure, subsequent neutron-scattering measurements reveal a much more intricate magnetic ground state characterized by two coexisting magnetic wave vectors reached by successive thermal phase transitions. The proposed high- and low-temperature phases are a spin helix and a state with interpenetrating helical and Néel antiferromagnetic order termed a “broken helix,” respectively. Employing a multimodal approach, we identify the magnetic structure associated with these two phases of . We find that the higher-temperature phase is characterized by a variation of the magnetic moment amplitude from layer to layer, with the moment vanishing entirely in every third Eu layer. The lower-temperature structure is similar to the broken helix, with one important difference: Because of local strain, the relative orientation of the magnetic structure and the lattice is not fixed. Consequently, the symmetry required to protect the axion phase is not generically protected in , but we show that it can be restored if the magnetic structure is tuned with uniaxial strain. Finally, we present a spin Hamiltonian that identifies the spin interactions that account for the complex magnetic order in . Our work highlights t
{"title":"Multimodal Approach Reveals the Symmetry-Breaking Pathway to the Broken Helix in EuIn2As2","authors":"E. Donoway, T. V. Trevisan, A. Liebman-Peláez, R. P. Day, K. Yamakawa, Y. Sun, J. R. Soh, D. Prabhakaran, A. T. Boothroyd, R. M. Fernandes, J. G. Analytis, J. E. Moore, J. Orenstein, V. Sunko","doi":"10.1103/physrevx.14.031013","DOIUrl":"https://doi.org/10.1103/physrevx.14.031013","url":null,"abstract":"Understanding and manipulating emergent phases, which are themes at the forefront of quantum-materials research, rely on identifying their underlying symmetries. This general principle has been particularly prominent in materials with coupled electronic and magnetic degrees of freedom, in which magnetic order influences the electronic band structure and can lead to exotic topological effects. However, identifying symmetry of a magnetically ordered phase can pose a challenge, particularly in the presence of small domains. Here we introduce a multimodal approach for determining magnetic structures, which combines symmetry-sensitive optical probes, scattering, and group-theoretical analysis. We apply it to <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><msub><mrow><mi>EuIn</mi></mrow><mrow><mn>2</mn></mrow></msub></mrow><mrow><msub><mrow><mi>As</mi></mrow><mrow><mn>2</mn></mrow></msub></mrow></math>, a material that has received attention as a candidate axion insulator. While first-principles calculations predict this state on the assumption of a simple collinear antiferromagnetic structure, subsequent neutron-scattering measurements reveal a much more intricate magnetic ground state characterized by two coexisting magnetic wave vectors reached by successive thermal phase transitions. The proposed high- and low-temperature phases are a spin helix and a state with interpenetrating helical and Néel antiferromagnetic order termed a “broken helix,” respectively. Employing a multimodal approach, we identify the magnetic structure associated with these two phases of <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><msub><mrow><mi>EuIn</mi></mrow><mrow><mn>2</mn></mrow></msub></mrow><mrow><msub><mrow><mi>As</mi></mrow><mrow><mn>2</mn></mrow></msub></mrow></math>. We find that the higher-temperature phase is characterized by a variation of the magnetic moment amplitude from layer to layer, with the moment vanishing entirely in every third Eu layer. The lower-temperature structure is similar to the broken helix, with one important difference: Because of local strain, the relative orientation of the magnetic structure and the lattice is not fixed. Consequently, the symmetry required to protect the axion phase is not generically protected in <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><msub><mrow><mi>EuIn</mi></mrow><mrow><mn>2</mn></mrow></msub></mrow><mrow><msub><mrow><mi>As</mi></mrow><mrow><mn>2</mn></mrow></msub></mrow></math>, but we show that it can be restored if the magnetic structure is tuned with uniaxial strain. Finally, we present a spin Hamiltonian that identifies the spin interactions that account for the complex magnetic order in <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><msub><mrow><mi>EuIn</mi></mrow><mrow><mn>2</mn></mrow></msub></mrow><mrow><msub><mrow><mi>As</mi></mrow><mrow><mn>2</mn></mrow></msub></mrow></math>. Our work highlights t","PeriodicalId":20161,"journal":{"name":"Physical Review X","volume":null,"pages":null},"PeriodicalIF":12.5,"publicationDate":"2024-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141750253","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-19DOI: 10.1103/physrevx.14.031012
Rahul N. Chacko, François P. Landes, Giulio Biroli, Olivier Dauchot, Andrea J. Liu, David R. Reichman
Convincing evidence of domain growth in the heating of ultrastable glasses suggests that the equilibration dynamics of supercooled liquids could be driven by a nucleation and growth mechanism. We investigate this possibility by simulating the equilibration dynamics of a model glass during both heating and cooling between poorly and well-annealed states. Though we do observe the growth of domains during heating, we find that domains are absent during cooling. This absence is inconsistent with classical nucleation theory. By comparing the equilibration dynamics of our glass with that of two models with kinetic constraints, we demonstrate that dynamical facilitation generically leads to heating driven by domain growth and cooling without domains. Our results provide strong evidence that dynamical facilitation, not nucleation and interfacial-tension-driven domain growth, is the driving mechanism for the equilibration dynamics of glass formers.
{"title":"Dynamical Facilitation Governs the Equilibration Dynamics of Glasses","authors":"Rahul N. Chacko, François P. Landes, Giulio Biroli, Olivier Dauchot, Andrea J. Liu, David R. Reichman","doi":"10.1103/physrevx.14.031012","DOIUrl":"https://doi.org/10.1103/physrevx.14.031012","url":null,"abstract":"Convincing evidence of domain growth in the heating of ultrastable glasses suggests that the equilibration dynamics of supercooled liquids could be driven by a nucleation and growth mechanism. We investigate this possibility by simulating the equilibration dynamics of a model glass during both heating and cooling between poorly and well-annealed states. Though we do observe the growth of domains during heating, we find that domains are absent during cooling. This absence is inconsistent with classical nucleation theory. By comparing the equilibration dynamics of our glass with that of two models with kinetic constraints, we demonstrate that dynamical facilitation generically leads to heating driven by domain growth and cooling without domains. Our results provide strong evidence that dynamical facilitation, not nucleation and interfacial-tension-driven domain growth, is the driving mechanism for the equilibration dynamics of glass formers.","PeriodicalId":20161,"journal":{"name":"Physical Review X","volume":null,"pages":null},"PeriodicalIF":12.5,"publicationDate":"2024-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141726178","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-18DOI: 10.1103/physrevx.14.031011
Kyosuke Adachi, Kyogo Kawaguchi
Cells contain multiple condensates which spontaneously form due to the heterotypic interactions between their components. Although the proteins and disordered region sequences that are responsible for condensate formation have been extensively studied, the rule of interactions between the components that allow demixing, i.e., the coexistence of multiple condensates, is yet to be elucidated. Here, we construct an effective theory of the interaction between heteropolymers by fitting it to the molecular dynamics simulation results obtained for more than 200 sequences sampled from the disordered regions of human proteins. We find that the sum of amino acid pair interactions across two heteropolymers predicts the Boyle temperature qualitatively well, which can be quantitatively improved by the dimer pair approximation, where we incorporate the effect of neighboring amino acids in the sequences. The improved theory, combined with the finding of a metric that captures the effective interaction strength between distinct sequences, allowed the selection of up to three disordered region sequences that demix with each other in multicomponent simulations, as well as the generation of artificial sequences that demix with a given sequence. The theory points to a generic sequence design strategy to demix or hypermix thanks to the low-dimensional nature of the space of the interactions that we identify. As a consequence of the geometric arguments in the space of interactions, we find that the number of distinct sequences that can demix with each other is strongly constrained, irrespective of the choice of the coarse-grained model. Altogether, we construct a theoretical basis for methods to estimate the effective interaction between heteropolymers, which can be utilized in predicting phase separation properties as well as rules of assignment in the localization and functions of disordered proteins.
{"title":"Predicting Heteropolymer Interactions: Demixing and Hypermixing of Disordered Protein Sequences","authors":"Kyosuke Adachi, Kyogo Kawaguchi","doi":"10.1103/physrevx.14.031011","DOIUrl":"https://doi.org/10.1103/physrevx.14.031011","url":null,"abstract":"Cells contain multiple condensates which spontaneously form due to the heterotypic interactions between their components. Although the proteins and disordered region sequences that are responsible for condensate formation have been extensively studied, the rule of interactions between the components that allow demixing, i.e., the coexistence of multiple condensates, is yet to be elucidated. Here, we construct an effective theory of the interaction between heteropolymers by fitting it to the molecular dynamics simulation results obtained for more than 200 sequences sampled from the disordered regions of human proteins. We find that the sum of amino acid pair interactions across two heteropolymers predicts the Boyle temperature qualitatively well, which can be quantitatively improved by the dimer pair approximation, where we incorporate the effect of neighboring amino acids in the sequences. The improved theory, combined with the finding of a metric that captures the effective interaction strength between distinct sequences, allowed the selection of up to three disordered region sequences that demix with each other in multicomponent simulations, as well as the generation of artificial sequences that demix with a given sequence. The theory points to a generic sequence design strategy to demix or hypermix thanks to the low-dimensional nature of the space of the interactions that we identify. As a consequence of the geometric arguments in the space of interactions, we find that the number of distinct sequences that can demix with each other is strongly constrained, irrespective of the choice of the coarse-grained model. Altogether, we construct a theoretical basis for methods to estimate the effective interaction between heteropolymers, which can be utilized in predicting phase separation properties as well as rules of assignment in the localization and functions of disordered proteins.","PeriodicalId":20161,"journal":{"name":"Physical Review X","volume":null,"pages":null},"PeriodicalIF":12.5,"publicationDate":"2024-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141726179","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-17DOI: 10.1103/physrevx.14.031010
Antonio D’Abbruzzo, Donato Farina, Vittorio Giovannetti
A relevant problem in the theory of open quantum systems is the lack of complete positivity of dynamical maps obtained after weak-coupling approximations, a famous example being the Redfield master equation. A number of approaches exist to recover well-defined evolutions under additional Markovian assumptions, but much less is known beyond this regime. Here, we propose a numerical method to cure the complete-positivity violation issue while preserving the non-Markovian features of an arbitrary original dynamical map. The idea is to replace its unphysical Choi operator with its closest physical one, mimicking recent work on quantum process tomography. We also show that the regularized dynamics is more accurate in terms of reproducing the exact dynamics, which allows us to heuristically push the utilization of these master equations in moderate coupling regimes, where the loss of positivity can have a relevant impact.
{"title":"Recovering Complete Positivity of Non-Markovian Quantum Dynamics with Choi-Proximity Regularization","authors":"Antonio D’Abbruzzo, Donato Farina, Vittorio Giovannetti","doi":"10.1103/physrevx.14.031010","DOIUrl":"https://doi.org/10.1103/physrevx.14.031010","url":null,"abstract":"A relevant problem in the theory of open quantum systems is the lack of complete positivity of dynamical maps obtained after weak-coupling approximations, a famous example being the Redfield master equation. A number of approaches exist to recover well-defined evolutions under additional Markovian assumptions, but much less is known beyond this regime. Here, we propose a numerical method to cure the complete-positivity violation issue while preserving the non-Markovian features of an arbitrary original dynamical map. The idea is to replace its unphysical Choi operator with its closest physical one, mimicking recent work on quantum process tomography. We also show that the regularized dynamics is more accurate in terms of reproducing the exact dynamics, which allows us to heuristically push the utilization of these master equations in moderate coupling regimes, where the loss of positivity can have a relevant impact.","PeriodicalId":20161,"journal":{"name":"Physical Review X","volume":null,"pages":null},"PeriodicalIF":12.5,"publicationDate":"2024-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141631290","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-15DOI: 10.1103/physrevx.14.031009
Zijia Liu, Xiaozhu Zhang, Xiaolei Ru, Ting-Ting Gao, Jack Murdoch Moore, Gang Yan
Numerous natural and human-made systems exhibit critical transitions whereby slow changes in environmental conditions spark abrupt shifts to a qualitatively distinct state. These shifts very often entail severe consequences; therefore, it is imperative to devise robust and informative approaches for anticipating the onset of critical transitions. Real-world complex systems can comprise hundreds or thousands of interacting entities, and implementing prevention or management strategies for critical transitions requires knowledge of the exact condition in which they will manifest. However, most research so far has focused on low-dimensional systems and small networks containing fewer than ten nodes or has not provided an estimate of the location where the transition will occur. We address these weaknesses by developing a deep-learning framework which can predict the specific location where critical transitions happen in networked systems with size up to hundreds of nodes. These predictions do not rely on the network topology, the edge weights, or the knowledge of system dynamics. We validate the effectiveness of our machine-learning-based framework by considering a diverse selection of systems representing both smooth (second-order) and explosive (first-order) transitions: the synchronization transition in coupled Kuramoto oscillators; the sharp decline in the resource biomass present in an ecosystem; and the abrupt collapse of a Wilson-Cowan neuronal system. We show that our method provides accurate predictions for the onset of critical transitions well in advance of their occurrences, is robust to noise and transient data, and relies only on observations of a small fraction of nodes. Finally, we demonstrate the applicability of our approach to real-world systems by considering empirical vegetated ecosystems in Africa.
{"title":"Early Predictor for the Onset of Critical Transitions in Networked Dynamical Systems","authors":"Zijia Liu, Xiaozhu Zhang, Xiaolei Ru, Ting-Ting Gao, Jack Murdoch Moore, Gang Yan","doi":"10.1103/physrevx.14.031009","DOIUrl":"https://doi.org/10.1103/physrevx.14.031009","url":null,"abstract":"Numerous natural and human-made systems exhibit critical transitions whereby slow changes in environmental conditions spark abrupt shifts to a qualitatively distinct state. These shifts very often entail severe consequences; therefore, it is imperative to devise robust and informative approaches for anticipating the onset of critical transitions. Real-world complex systems can comprise hundreds or thousands of interacting entities, and implementing prevention or management strategies for critical transitions requires knowledge of the exact condition in which they will manifest. However, most research so far has focused on low-dimensional systems and small networks containing fewer than ten nodes or has not provided an estimate of the location where the transition will occur. We address these weaknesses by developing a deep-learning framework which can predict the specific location where critical transitions happen in networked systems with size up to hundreds of nodes. These predictions do not rely on the network topology, the edge weights, or the knowledge of system dynamics. We validate the effectiveness of our machine-learning-based framework by considering a diverse selection of systems representing both smooth (second-order) and explosive (first-order) transitions: the synchronization transition in coupled Kuramoto oscillators; the sharp decline in the resource biomass present in an ecosystem; and the abrupt collapse of a Wilson-Cowan neuronal system. We show that our method provides accurate predictions for the onset of critical transitions well in advance of their occurrences, is robust to noise and transient data, and relies only on observations of a small fraction of nodes. Finally, we demonstrate the applicability of our approach to real-world systems by considering empirical vegetated ecosystems in Africa.","PeriodicalId":20161,"journal":{"name":"Physical Review X","volume":null,"pages":null},"PeriodicalIF":12.5,"publicationDate":"2024-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141618278","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-12DOI: 10.1103/physrevx.14.031007
Connor A. Occhialini, Yi Tseng, Hebatalla Elnaggar, Qian Song, Mark Blei, Seth Ariel Tongay, Valentina Bisogni, Frank M. F. de Groot, Jonathan Pelliciari, Riccardo Comin
The fundamental optical excitations of correlated transition-metal compounds are typically identified with multielectronic transitions localized at the transition-metal site, such as transitions. In this vein, intense interest has surrounded the appearance of sharp, below-band-gap optical transitions, i.e., excitons, within the magnetic phase of correlated van der Waals magnets. The interplay of magnetic and charge-transfer insulating ground states in systems raises intriguing questions on the roles of long-range magnetic order and of metal-ligand charge transfer in the exciton nature, which inspired microscopic descriptions beyond typical excitations. Here we study the impact of charge transfer and magnetic order on the excitation spectrum of the nickel dihalides (, , Br, and I) using Ni- edge resonant inelastic x-ray scattering (RIXS). In all compounds, we detect sharp excitations, analogous to the recently reported excitons, and assign them to spin-singlet multiplets of octahedrally coordinated stabilized by intra-atomic Hund’s exchange. Additionally, we demonstrate that these excitons are dispersive using momentum-resolved RIXS. Our data evidence a ligand-mediated multiplet dispersion, which is tuned by the charge-transfer gap and independent of the presence of long-range magnetic order. This reveals the mechanisms governing nonlocal interactions of on-site excitations with the surrounding crystal or magnetic structure, in analogy to ground-state superexchange. These measurements thus establish the roles of magnetic order, self-doped ligand holes, and intersite-coupling mechanisms for the properties of excitations in charge-transfer insulators.
{"title":"Nature of Excitons and Their Ligand-Mediated Delocalization in Nickel Dihalide Charge-Transfer Insulators","authors":"Connor A. Occhialini, Yi Tseng, Hebatalla Elnaggar, Qian Song, Mark Blei, Seth Ariel Tongay, Valentina Bisogni, Frank M. F. de Groot, Jonathan Pelliciari, Riccardo Comin","doi":"10.1103/physrevx.14.031007","DOIUrl":"https://doi.org/10.1103/physrevx.14.031007","url":null,"abstract":"The fundamental optical excitations of correlated transition-metal compounds are typically identified with multielectronic transitions localized at the transition-metal site, such as <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>d</mi><mi>d</mi></math> transitions. In this vein, intense interest has surrounded the appearance of sharp, below-band-gap optical transitions, i.e., excitons, within the magnetic phase of correlated <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><msup><mrow><mi>Ni</mi></mrow><mrow><mn>2</mn><mo>+</mo></mrow></msup></mrow></math> van der Waals magnets. The interplay of magnetic and charge-transfer insulating ground states in <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><msup><mrow><mi>Ni</mi></mrow><mrow><mn>2</mn><mo>+</mo></mrow></msup></mrow></math> systems raises intriguing questions on the roles of long-range magnetic order and of metal-ligand charge transfer in the exciton nature, which inspired microscopic descriptions beyond typical <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>d</mi><mi>d</mi></math> excitations. Here we study the impact of charge transfer and magnetic order on the excitation spectrum of the nickel dihalides (<math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>Ni</mi><msub><mrow><mi>X</mi></mrow><mrow><mn>2</mn></mrow></msub></mrow></math>, <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><mi>X</mi><mo>=</mo><mi>Cl</mi></mrow></math>, Br, and I) using Ni-<math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><msub><mi>L</mi><mn>3</mn></msub></math> edge resonant inelastic x-ray scattering (RIXS). In all compounds, we detect sharp excitations, analogous to the recently reported excitons, and assign them to spin-singlet multiplets of octahedrally coordinated <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mrow><msup><mrow><mi>Ni</mi></mrow><mrow><mn>2</mn><mo>+</mo></mrow></msup></mrow></math> stabilized by intra-atomic Hund’s exchange. Additionally, we demonstrate that these excitons are dispersive using momentum-resolved RIXS. Our data evidence a ligand-mediated multiplet dispersion, which is tuned by the charge-transfer gap and independent of the presence of long-range magnetic order. This reveals the mechanisms governing nonlocal interactions of on-site <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>d</mi><mi>d</mi></math> excitations with the surrounding crystal or magnetic structure, in analogy to ground-state superexchange. These measurements thus establish the roles of magnetic order, self-doped ligand holes, and intersite-coupling mechanisms for the properties of <math display=\"inline\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><mi>d</mi><mi>d</mi></math> excitations in charge-transfer insulators.","PeriodicalId":20161,"journal":{"name":"Physical Review X","volume":null,"pages":null},"PeriodicalIF":12.5,"publicationDate":"2024-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141597276","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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