The Middle Science: Traversing Scale In Complex Many-Body Systems.
Ontology highlight
ABSTRACT:
SUBMITTER: Clark AE
PROVIDER: S-EPMC8393217 | biostudies-literature |
REPOSITORIES: biostudies-literature
Similar Datasets
Project description:Precise delivery of therapeutics to the target structures is essential for treatment efficiency and safety. Drug administration via conventional routes requires overcoming multiple transport barriers to achieve and maintain the local drug concentration and commonly results in unwanted off-target effects. Patients' compliance with the treatment schedule remains another challenge. Implantable drug delivery systems (IDDSs) provide a way to solve these problems. IDDSs are bioengineering devices surgically placed inside the patient's tissues to avoid first-pass metabolism and reduce the systemic toxicity of the drug by eluting the therapeutic payload in the vicinity of the target tissues. IDDSs present an impressive example of successful translation of the research and engineering findings to the patient's bedside. It is envisaged that the IDDS technologies will grow exponentially in the coming years. However, to pave the way for this progress, it is essential to learn lessons from the past and present of IDDSs clinical applications. The efficiency and safety of the drug-eluting implants depend on the interactions between the device and the hosting tissues. In this review, we address this need and analyze the clinical landscape of the FDA-approved IDDSs applications in the context of the foreign body reaction, a key aspect of implant-tissue integration.
| S-EPMC8698517 | biostudies-literature
Project description:Modeling many-body quantum systems with strong interactions is one of the core challenges of modern physics. A range of methods has been developed to approach this task, each with its own idiosyncrasies, approximations, and realm of applicability. However, there remain many problems that are intractable for existing methods. In particular, many approaches face a huge computational barrier when modeling large numbers of coupled electrons and ions at finite temperature. Here, we address this shortfall with a new approach to modeling many-body quantum systems. On the basis of the Bohmian trajectory formalism, our new method treats the full particle dynamics with a considerable increase in computational speed. As a result, we are able to perform large-scale simulations of coupled electron-ion systems without using the adiabatic Born-Oppenheimer approximation.
| S-EPMC6874487 | biostudies-literature
Project description:The lack of knowledge about the detailed many-particle motion on the microscopic scale is a key issue in any theoretical description of a macroscopic experiment. For systems at or close to thermal equilibrium, statistical mechanics provides a very successful general framework to cope with this problem. However, far from equilibrium, only very few quantitative and comparably universal results are known. Here a quantum mechanical prediction of this type is derived and verified against various experimental and numerical data from the literature. It quantitatively describes the entire temporal relaxation towards thermal equilibrium for a large class (in a mathematically precisely defined sense) of closed many-body systems, whose initial state may be arbitrarily far from equilibrium.
| S-EPMC4773511 | biostudies-literature
Project description:When classical systems fail to explore their entire configurational space, intriguing macroscopic phenomena like aging and glass formation may emerge. Also closed quanto-mechanical systems may stop wandering freely around the whole Hilbert space, even if they are initially prepared into a macroscopically large combination of eigenstates. Here, we report numerical evidences that the dynamics of strongly interacting lattice bosons driven sufficiently far from equilibrium can be trapped into extremely long-lived inhomogeneous metastable states. The slowing down of incoherent density excitations above a threshold energy, much reminiscent of a dynamical arrest on the verge of a glass transition, is identified as the key feature of this phenomenon. We argue that the resulting long-lived inhomogeneities are responsible for the lack of thermalization observed in large systems. Such a rich phenomenology could be experimentally uncovered upon probing the out-of-equilibrium dynamics of conveniently prepared quantum states of trapped cold atoms which we hereby suggest.
| S-EPMC3272662 | biostudies-literature
Project description:Unconventional nonequilibrium phases with restricted correlation spreading and slow entanglement growth have been proposed to emerge in systems with confined excitations, calling their thermalization dynamics into question. Here, we show that in confined systems the thermalization dynamics after a quantum quench instead exhibits multiple stages with well separated time scales. As an example, we consider the confined Ising spin chain, in which domain walls in the ordered phase form bound states reminiscent of mesons. The system first relaxes towards a prethermal state, described by a Gibbs ensemble with conserved meson number. The prethermal state arises from rare events in which mesons are created in close vicinity, leading to an avalanche of scattering events. Only at much later times a true thermal equilibrium is achieved in which the meson number conservation is violated by a mechanism akin to the Schwinger effect. The discussed prethermalization dynamics is directly relevant to generic one-dimensional, many-body systems with confined excitations.
| S-EPMC9741589 | biostudies-literature
Project description:In this work we demonstrate that nonrandom mechanisms that lead to single-particle localization may also lead to many-body localization, even in the absence of disorder. In particular, we consider interacting spins and fermions in the presence of a linear potential. In the noninteracting limit, these models show the well-known Wannier-Stark localization. We analyze the fate of this localization in the presence of interactions. Remarkably, we find that beyond a critical value of the potential gradient these models exhibit nonergodic behavior as indicated by their spectral and dynamical properties. These models, therefore, constitute a class of generic nonrandom models that fail to thermalize. As such, they suggest new directions for experimentally exploring and understanding the phenomena of many-body localization. We supplement our work by showing that by using machine-learning techniques the level statistics of a system may be calculated without generating and diagonalizing the Hamiltonian, which allows a generation of large statistics.
| S-EPMC6511026 | biostudies-literature
Project description:Identification of the optimal quantum metrological protocols in realistic many particle quantum models is in general a challenge that cannot be efficiently addressed by the state-of-the-art numerical and analytical methods. Here we provide a comprehensive framework exploiting matrix product operators (MPO) type tensor networks for quantum metrological problems. The maximal achievable estimation precision as well as the optimal probe states in previously inaccessible regimes can be identified including models with short-range noise correlations. Moreover, the application of infinite MPO (iMPO) techniques allows for a direct and efficient determination of the asymptotic precision in the limit of infinite particle numbers. We illustrate the potential of our framework in terms of an atomic clock stabilization (temporal noise correlation) example as well as magnetic field sensing (spatial noise correlations). As a byproduct, the developed methods may be used to calculate the fidelity susceptibility-a parameter widely used to study phase transitions.
| S-EPMC6959326 | biostudies-literature
Project description:The electrostatically embedded many-body (EE-MB) method has proven accurate for calculating cohesive and conformational energies in clusters, and it has recently been extended to obtain bond dissociation energies for metal-ligand bonds in positively charged inorganic coordination complexes. In the present paper, we present four key guidelines that maximize the accuracy and efficiency of EE-MB calculations for metal centers. Then, following these guidelines, we show that the EE-MB method can also perform well for bond dissociation energies in a variety of neutral and negatively charged inorganic coordination systems representing metalloenzyme active sites, including a model of the catalytic site of the zinc-bearing anthrax toxin lethal factor, a popular target for drug development. In particular, we find that the electrostatically embedded three-body (EE-3B) method is able to reproduce conventionally calculated bond-breaking energies in a series of pentacoordinate and hexacoordinate zinc-containing systems with an average absolute error (averaged over 25 cases) of only 0.98 kcal/mol.
| S-EPMC3358931 | biostudies-literature
Project description:The many-body dispersion (MBD) framework is a successful approach for modeling the long-range electronic correlation energy and optical response of systems with thousands of atoms. Inspired by field theory, here we develop a second-quantized MBD formalism (SQ-MBD) that recasts a system of atomic quantum Drude oscillators in a Fock-space representation. SQ-MBD provides: (i) tools for projecting observables (interaction energy, transition multipoles, polarizability tensors) on coarse-grained representations of the atomistic system ranging from single atoms to large structural motifs, (ii) a quantum-information framework to analyze correlations and (non)separability among fragments in a given molecular complex, and (iii) a path toward the applicability of the MBD framework to molecular complexes with even larger number of atoms. The SQ-MBD approach offers conceptual insights into quantum fluctuations in molecular systems and enables direct coupling of collective plasmon-like MBD degrees of freedom with arbitrary environments, providing a tractable computational framework to treat dispersion interactions and polarization response in intricate systems.
| S-EPMC10716193 | biostudies-literature
Project description:Obtaining accurate properties of many-body interacting quantum matter is a long-standing challenge in theoretical physics and chemistry, rooting into the complexity of the many-body wave-function. Classical representations of many-body states constitute a key tool for both analytical and numerical approaches to interacting quantum problems. Here, we introduce a technique to construct classical representations of many-body quantum systems based on artificial neural networks. Our constructions are based on the deep Boltzmann machine architecture, in which two layers of hidden neurons mediate quantum correlations. The approach reproduces the exact imaginary-time evolution for many-body lattice Hamiltonians, is completely deterministic, and yields networks with a polynomially-scaling number of neurons. We provide examples where physical properties of spin Hamiltonians can be efficiently obtained. Also, we show how systematic improvements upon existing restricted Boltzmann machines ansatze can be obtained. Our method is an alternative to the standard path integral and opens new routes in representing quantum many-body states.
| S-EPMC6294148 | biostudies-literature