Effective light cone and digital quantum simulation of interacting bosons.

The speed limit of information propagation is one of the most fundamental features in non-equilibrium physics. The region of information propagation by finite-time dynamics is approximately restricted inside the effective light cone that is formulated by the Lieb-Robinson bound. To date, extensive studies have been conducted to identify the shape of effective light cones in most experimentally relevant many-body systems. However, the Lieb-Robinson bound in the interacting boson systems, one of the most ubiquitous quantum systems in nature, has remained a critical open problem for a long time. This study reveals a tight effective light cone to limit the information propagation in interacting bosons, where the shape of the effective light cone depends on the spatial dimension. To achieve it, we prove that the speed for bosons to clump together is finite, which in turn leads to the error guarantee of the boson number truncation at each site. Furthermore, we applied the method to provide a provably efficient algorithm for simulating the interacting boson systems. The results of this study settle the notoriously challenging problem and provide the foundation for elucidating the complexity of many-body boson systems.

Topological Speed Limit.

Any physical system evolves at a finite speed that is constrained not only by the energetic cost but also by the topological structure of the underlying dynamics. In this Letter, by considering such structural information, we derive a unified topological speed limit for the evolution of physical states using an optimal transport approach. We prove that the minimum time required for changing states is lower bounded by the discrete Wasserstein distance, which encodes the topological information of the system, and the time-averaged velocity. The bound obtained is tight and applicable to a wide range of dynamics, from deterministic to stochastic, and classical to quantum systems. In addition, the bound provides insight into the design principles of the optimal process that attains the maximum speed. We demonstrate the application of our results to chemical reaction networks and interacting many-body quantum systems.

Thermodynamics of Precision in Markovian Open Quantum Dynamics.

The thermodynamic and kinetic uncertainty relations indicate trade-offs between the relative fluctuation of observables and thermodynamic quantities such as dissipation and dynamical activity. Although these relations have been well studied for classical systems, they remain largely unexplored in the quantum regime. In this Letter, we investigate such trade-off relations for Markovian open quantum systems whose underlying dynamics are quantum jumps, such as thermal processes and quantum measurement processes. Specifically, we derive finite-time lower bounds on the relative fluctuation of both dynamical observables and their first passage times for arbitrary initial states. The bounds imply that the precision of observables is constrained not only by thermodynamic quantities but also by quantum coherence. We find that the product of the relative fluctuation and entropy production or dynamical activity is enhanced by quantum coherence in a generic class of dissipative processes of systems with nondegenerate energy levels. Our findings provide insights into the survival of the classical uncertainty relations in quantum cases.

Fate of Measurement-Induced Phase Transition in Long-Range Interactions.

We consider quantum many-body dynamics under quantum measurements, where the measurement-induced phase transitions (MIPs) occur when changing the frequency of the measurement. In this work, we consider the robustness of the MIP for long-range interaction that decays as r^{-α} with distance r. The effects of long-range interactions are classified into two regimes: (i) the MIP is observed (α>α_{c}), and (ii) the MIP is absent even for arbitrarily strong measurements (α<α_{c}). Using fermion models, we demonstrate both regimes in integrable and nonintegrable cases. We identify the underlying mechanism and propose sufficient conditions to observe the MIP, that is, α>d/2+1 for general bilinear systems and α>d+1 for general nonintegrable systems (d: spatial dimension). Numerical calculation indicates that these conditions are optimal.

Finite-Time Quantum Landauer Principle and Quantum Coherence.

The Landauer principle states that any logically irreversible information processing must be accompanied by dissipation into the environment. In this Letter, we investigate the heat dissipation associated with finite-time information erasure and the effect of quantum coherence in such processes. By considering a scenario wherein information is encoded in an open quantum system whose dynamics are described by the Markovian Lindblad equation, we show that the dissipated heat is lower bounded by the conventional Landauer cost, as well as a correction term inversely proportional to the operational time. To clarify the relation between quantum coherence and dissipation, we derive a lower bound for heat dissipation in terms of quantum coherence. This bound quantitatively implies that the creation of quantum coherence in the energy eigenbasis during the erasure process inevitably leads to additional heat costs. The obtained bounds hold for arbitrary operational time and control protocol. By following an optimal control theory, we numerically present an optimal protocol and illustrate our findings by using a single-qubit system.

Discovery of 3-amino-4-{(3S)-3-[(2-ethoxyethoxy)methyl]piperidin-1-yl}thieno[2,3-b]pyridine-2-carboxamide (DS96432529): A potent and orally active bone anabolic agent.

The continuing investigation of SAR of 3-aminothieno[2,3-b]pyridine-2-carboxamide derivatives has been described. In this study, C4-piperidine derivatives with polar functional groups were synthesized to develop orally available bone anabolic agents. The optimized compound 9o (DS96432529), which exhibited the best PK profile and high in vitro activity, showed the highest in vivo efficacy in this series. Moreover, significant synergistic effects were observed following co-administration of DS96432529 and alendronate or parathyroid hormone. The mechanism of action is most likely mediated through CDK8 inhibition.

Lieb-Robinson Bound and Almost-Linear Light Cone in Interacting Boson Systems.

In this work, we investigate how quickly local perturbations propagate in interacting boson systems with Bose-Hubbard-type Hamiltonians. In general, these systems have unbounded local energies, and arbitrarily fast information propagation may occur. We focus on a specific but experimentally natural situation in which the number of bosons at any one site in the unperturbed initial state is approximately limited. We rigorously prove the existence of an almost-linear information-propagation light cone, thus establishing a Lieb-Robinson bound: the wave front grows at most as t log^{2}(t). We prove the clustering theorem for gapped ground states and study the time complexity of classically simulating one-dimensional quench dynamics, a topic of great practical interest.

Microscopic Theory of Fluctuating Hydrodynamics in Nonlinear Lattices.

The theory of fluctuating hydrodynamics has been an important tool for analyzing macroscopic behavior in nonlinear lattices. However, despite its practical success, its microscopic derivation is still incomplete. In this work, we provide the microscopic derivation of fluctuating hydrodynamics, using the coarse-graining and projection technique; the equivalence of ensembles turns out to be critical. The Green-Kubo (GK)-like formula for the bare transport coefficients are presented in a numerically computable form. Our numerical simulations show that the bare transport coefficients exist for a sufficiently large but finite coarse-graining length in the infinite lattice within the framework of the GK-like formula. This demonstrates that the bare transport coefficients uniquely exist for each physical system.

Absence of Fast Scrambling in Thermodynamically Stable Long-Range Interacting Systems.

In this study, we investigate out-of-time-order correlators (OTOCs) in systems with power-law decaying interactions such as R^{-α}, where R is the distance. In such systems, the fast scrambling of quantum information or the exponential growth of information propagation can potentially occur according to the decay rate α. In this regard, a crucial open challenge is to identify the optimal condition for α such that fast scrambling cannot occur. In this study, we disprove fast scrambling in generic long-range interacting systems with α>D (D: spatial dimension), where the total energy is extensive in terms of system size and the thermodynamic limit is well defined. We rigorously demonstrate that the OTOC shows a polynomial growth over time as long as α>D and the necessary scrambling time over a distance R is larger than t≳R^{[(2α-2D)/(2α-D+1)]}.

Area law of noncritical ground states in 1D long-range interacting systems.

The area law for entanglement provides one of the most important connections between information theory and quantum many-body physics. It is not only related to the universality of quantum phases, but also to efficient numerical simulations in the ground state. Various numerical observations have led to a strong belief that the area law is true for every non-critical phase in short-range interacting systems. However, the area law for long-range interacting systems is still elusive, as the long-range interaction results in correlation patterns similar to those in critical phases. Here, we show that for generic non-critical one-dimensional ground states with locally bounded Hamiltonians, the area law robustly holds without any corrections, even under long-range interactions. Our result guarantees an efficient description of ground states by the matrix-product state in experimentally relevant long-range systems, which justifies the density-matrix renormalization algorithm.

Eigenstate Thermalization from the Clustering Property of Correlation.

The clustering property of an equilibrium bipartite correlation is one of the most general thermodynamic properties in noncritical many-body quantum systems. Herein, we consider the thermalization properties of a system class exhibiting the clustering property. We investigate two regimes, namely, regimes of high and low density of states corresponding to high- and low-energy regimes, respectively. We show that the clustering property is connected to several properties on the eigenstate thermalization through the density of states. Remarkably, the eigenstate thermalization is obtained in the low-energy regime with a sparse density of states, which is typically seen in gapped systems. For the high-energy regime, we demonstrate the ensemble equivalence between microcanonical and canonical ensembles even for a subexponentially small energy shell with respect to the system size, which eventually leads to the weak version of eigenstate thermalization.

Energy current correlation in solvable long-range interacting systems.

We consider heat transfer in one-dimensional systems with long-range interactions. It is known that typical short-range interacting systems shows anomalous behavior in heat transport when total momentum is conserved, whereas momentum-nonconserving systems do not exhibit anomaly. In this study, we focus on the effect of long-range interaction. We propose an exactly solvable model that reduces to the so-called momentum-exchange model in the short-range interaction limit. We exactly calculate the asymptotic time decay in the energy current correlation function, which is related to the thermal conductivity via the Green-Kubo formula. From the time decay of the current correlation, we show three qualitatively crucial results. First, the anomalous exponent in the time-decay continuously changes as a function of the index of the long-range interaction. Second, there is a regime where the current correlation diverges with increasing the system size with fixed time, and hence, the exponent of the time decay cannot be defined. Third, even momentum-nonconserving systems can show the anomalous exponent indicating anomalous heat transport. Higher dimensions are also considered, and we found that long-range interaction can induce the anomalous exponent even in three-dimensional systems.

Trace of anomalous diffusion in a biased quenched trap model.

Diffusion in a quenched heterogeneous environment in the presence of bias is considered analytically. The first-passage-time statistics can be applied to obtain the drift and the diffusion coefficient in periodic quenched environments. We show several transition points at which sample-to-sample fluctuations of the drifts or the diffusion coefficients remain large even when the system size becomes large, i.e., non-self-averaging. Moreover, we find that the disorder average of the diffusion coefficient diverges or becomes 0 when the corresponding annealed model generates superdiffusion or subdiffusion, respectively. This result implies that anomalous diffusion in an annealed model is traced by anomaly of the diffusion coefficients in the corresponding quenched model.

Thermodynamic Geometry of Microscopic Heat Engines.

We develop a general framework to describe the thermodynamics of microscopic heat engines driven by arbitrary periodic temperature variations and modulations of a mechanical control parameter. Within the slow-driving regime, our approach leads to a universal trade-off relation between efficiency and power, which follows solely from geometric arguments and holds for any thermodynamically consistent microdynamics. Focusing on Lindblad dynamics, we derive a second bound showing that coherence as a genuine quantum effect inevitably reduces the performance of slow engine cycles regardless of the driving amplitudes. To show how our theory can be applied in practice, we work out a specific example, which lies within the range of current solid-state technologies.

Crystal structure of the mineralocorticoid receptor ligand-binding domain in complex with a potent and selective nonsteroidal blocker, esaxerenone (CS-3150).

Activation of the mineralocorticoid receptor (MR) has long been considered a risk factor for cardiovascular diseases. It has been reported that the novel MR blocker esaxerenone shows high potency and selectivity for MR in vitro as well as great antihypertensive and renoprotective effects in salt-sensitive hypertensive rats. Here, we determined the cocrystal structure of the MR ligand-binding domain (MR-LBD) with esaxerenone and found that esaxerenone binds to MR-LBD in a unique manner with large side-chain rearrangements, distinct from those of previously published MR antagonists. This structure also displays an antagonist form that has not been observed for MR previously. Such a unique binding mode of esaxerenone provides great insight into the novelty, potency, and selectivity of this novel antihypertensive drug.

Information-Theoretical Bound of the Irreversibility in Thermal Relaxation Processes.

We establish that entropy production, which is crucial to the characterization of thermodynamic irreversibility, is obtained through a variational principle involving the Kulback-Leibler divergence. A simple application of this representation leads to an information-theoretical bound on entropy production in thermal relaxation processes; this is a stronger inequality than the conventional second law of thermodynamics. This bound is also interpreted as a constraint on the possible path of a thermal relaxation process in terms of information geometry. Our results reveal a hidden universal law inherent to general thermal relaxation processes.

Universal First-Passage-Time Distribution of Non-Gaussian Currents.

We investigate the fluctuations of the time elapsed until the electric charge transferred through a conductor reaches a given threshold value. For this purpose, we measure the distribution of the first-passage times for the net number of electrons transferred between two metallic islands in the Coulomb blockade regime. Our experimental results are in excellent agreement with numerical calculations based on a recent theory describing the exact first-passage-time distributions for any nonequilibrium stationary Markov process. We also derive a simple analytical approximation for the first-passage-time distribution, which takes into account the non-Gaussian statistics of the electron transport, and show that it describes the experimental distributions with high accuracy. This universal approximation describes a wide class of stochastic processes, and can be used beyond the context of mesoscopic charge transport. In addition, we verify experimentally a fluctuation relation between the first-passage-time distributions for positive and negative thresholds.

Exact results for first-passage-time statistics in biased quenched trap models.

We provide exact results for the mean and variance of first-passage times (FPTs) of making a directed revolution in the presence of a bias in heterogeneous quenched environments where the disorder is expressed by random traps on a ring with period L. FPT statistics are crucially affected by the disorder realization. In the large-L limit, we obtain exact formulas for the FPT statistics, which are described by the sample mean and variance for waiting times of periodically arranged traps. Furthermore, we find that these formulas are still useful for nonperiodic heterogeneous environments; i.e., the results are valid for almost all disorder realizations. Our findings are fundamentally important for the application of FPT to estimate diffusivity of a heterogeneous environment under a bias.

Synthesis and structure-activity relationship of 4-alkoxy-thieno[2,3-b]pyridine derivatives as potent alkaline phosphatase enhancers for osteoporosis treatment.

The synthesis and structure-activity relationships of a novel series of 3-aminothieno[2,3-b]pyridine-2-carboxamides were explored. Our efforts were focused on modifying the C-4 substituent of the thienopyridine ring to develop orally available bone anabolic agents. 4-Alkoxy derivatives were found to be novel ALPase enhancers without inhibitory effect on P450 activity. Among these derivatives, compound 6k was orally administered to ovariectomized rats, and it was found to significantly improve areal bone mineral density at a dose of 30 mg/kg/day.

Thermalization and Heating Dynamics in Open Generic Many-Body Systems.

The last decade has witnessed remarkable progress in our understanding of thermalization in isolated quantum systems. Combining the eigenstate thermalization hypothesis with quantum measurement theory, we extend the framework of quantum thermalization to open many-body systems. A generic many-body system subject to continuous observation is shown to thermalize at a single trajectory level. We show that the nonunitary nature of quantum measurement causes several unique thermalization mechanisms that are unseen in isolated systems. We present numerical evidence for our findings by applying our theory to specific models that can be experimentally realized in atom-cavity systems and with quantum gas microscopy. Our theory provides a general method to determine an effective temperature of quantum many-body systems subject to the Lindblad master equation and thus should be applicable to noisy dynamics or dissipative systems coupled to nonthermal Markovian environments as well as continuously monitored systems. Our work provides yet another insight into why thermodynamics emerges so universally.