相关论文: Topological Dynamics of Synthetic Molecules

Engineering synthetic materials that mimic the remarkable complexity of living organisms is a fundamental challenge in science and technology. We study the spatiotemporal patterns that emerge when an active nematicfilm of microtubules and…

The thesis presents the subject of synthetic topology, especially with relation to metric spaces. A model of synthetic topology is a categorical model in which objects possess an intrinsic topology in a suitable sense, and all morphisms are…

We derive a formulation of molecular dynamics that generates only symmetric configurations. We implement it for all 2D planar and 3D space groups. An atlas of 2D Lennard-Jones crystals under all planar groups is created with symmetric…

Biological molecules, like all active matter, use free energy to generate force and motion which drive them out of thermal equilibrium, and undergo inherent dynamic interconversion between metastable free energy states separated by levels…

Although it is unambiguously agreed that structure plays a fundamental role in shaping the dynamics of complex systems, this intricate relationship still remains unclear. We investigate a general computational transformation by which we can…

Active emulsions and liquid crystalline shells are intriguing and experimentally realisable types of topological matter. Here we numerically study the morphology and spatiotemporal dynamics of a double emulsion, where one or two passive…

We expose a mechanism for the dynamical generation and control of light states with diverse topologies in spiraling guiding structures. Specifically, we show that spiraling shallow refractive index landscapes induce coupling and periodic…

The study of algebraic properties of groups of transformations of a manifold gives rise to an interplay between different areas of mathemathics such as topology, geometry, and dynamical systems. Especially, in this paper, we point out some…

We construct algorithms and topological invariants that allow us to distinguish the topological type of a surface, as well as functions and vector fields for their topological equivalence. In the first part we discus the main structures…

Deep generative models are able to suggest new organic molecules by generating strings, trees, and graphs representing their structure. While such models allow one to generate molecules with desirable properties, they give no guarantees…

The problem of membrane topology in the matrix model of M-theory is considered. The matrix regularization procedure, which makes a correspondence between finite-sized matrices and functions defined on a two-dimensional base space, is…

The research in topological materials and meta-materials reached maturity and is now gradually entering the phase of practical applications and devices. However, scaling down the experimental demonstrations definitely presents a challenge.…

Living systems exhibit complex yet organized behavior on multiple spatiotemporal scales. To investigate the nature of multiscale coordination in living systems, one needs a meaningful and systematic way to quantify the complex dynamics, a…

We explore the quantum dynamics of heteronuclear atomic collisions in waveguides and demonstrate the existence of a novel mechanism for the resonant formation of polar molecules. The molecular formation probabilities can be tuned by…

We study a family of networks of autocatalytic reactions, which we call hyperchains, that are a generalization of hypercycles. Hyperchains, and the associated dynamical system called replicator equations, are a possible mechanism for…

The reproduction of a living cell requires a repeatable set of chemical events to be properly coordinated. Such events define a replication cycle, coupling the growth and shape change of the cell membrane with internal metabolic reactions.…

Topological dynamics constitutes the study of asymptotic properties of orbits under flows or maps on the Hausdorff phase space. Hyperbolic dynamics is the study of differentiable flows or maps that are usually characterized by the presence…

Molecular dynamics (MD) is a powerful technique for studying microscopic phenomena, but its computational cost has driven significant interest in the development of deep learning-based surrogate models. We introduce generative modeling of…

Novel geometries can be created by coupling internal states of atoms or molecules to mimic movement in real-space

Much of our mechanistic understanding of the functions of biological macromolecules is based on static structural experiments, which can be modelled either as single structures or conformational ensembles. While these provide us with…