相关论文: Parabolic Molecules
Embedding the data in hyperbolic spaces can preserve complex relationships in very few dimensions, thus enabling compact models and improving efficiency of machine learning (ML) algorithms. The underlying idea is that hyperbolic…
We consider the simplest representative of the class of multiply branched polymer macromolecules, known as a pom-pom structure. The molecule consists of a backbone linear chain terminated by two branching points with functionalities…
We show that many important natural science models in their mathematical formulation can be reduced to non-strictly hyperbolic systems of the same kind. This allows the same methods to be applied to them so that some essential results…
Physics-based, atom-centered machine learning (ML) representations have been instrumental to the effective integration of ML within the atomistic simulation community. Many of these representations build off the idea of atoms as having…
We study the influence of structural obstacles in a disordered environment on the size and shape characteristics of long flexible polymer macromolecules. We use the model of self-avoiding random walks on diluted regular lattices at the…
The complexity of condensed matter arises from emergent behaviors that cannot be understood by analyzing individual constituents in isolation. While traditional condensed-matter approaches-developed primarily for ideal crystalline…
Dense packing of particles has provided important models to study the structure of matter in various systems such as liquid, glassy and crystalline phase, etc. The simplest sphere packing models are able to represent and capture salient…
We explore how the analysis of the Carleman linearization can be extended to dynamical systems on infinite-dimensional Hilbert spaces with quadratic nonlinearities. We demonstrate the well-posedness and convergence of the truncated Carleman…
We study a class of degenerate parabolic equations with boundary point degeneracy in dimensions N>=2 and investigate the associated boundary observability problem by means of shape design. While one-dimensional degenerate models have been…
O(N) methods are based on the decay properties of the density matrix in real space, an effect sometimes refered to as near-sightedness. We show, that in addition to this near-sightedness in real space there is also a near-sightedness in…
Recent molecular dynamics simulations show that thermal gradients can induce electric fields in water that are comparable in magnitude to electric fields seen in ionic thin films and biomembranes. This surprising non-equilibrium phenomenon…
We give an application of interpolation with a function parameter to parabolic differential operators. We introduce the refined anisotropic Sobolev scale that consists of some Hilbert function spaces of generalized smoothness. The latter is…
This paper provides maximal function characterizations of anisotropic Triebel-Lizorkin spaces associated to general expansive matrices for the full range of parameters $p \in (0,\infty)$, $q \in (0,\infty]$ and $\alpha \in \mathbb{R}$. The…
We study polymers attached to spherical (circular) or paraboloidal (parabolic) probes in three (two) dimensions. Both self-avoiding and random walks are examined numerically. The behavior of a polymer of size $R_0$ attached to the tip of a…
Hyperbolic-parabolic systems have spatially homogenous stationary states. When the dissipation is weak, one can derive weakly nonlinear-dissipative approximations that govern perturbations of these constant states. These approximations are…
Hypothesis: Colloidal molecules with anisotropic shapes and interactions are powerful model systems for deciphering the behavior of real molecules and building units for creating materials with designed properties. While many strategies for…
In this study, we firstly establish the well-posedness of a degenerate parabolic equation under Dirichlet boundary conditions. Following this, we introduce a shape design problem, which acts as a framework for approximating the degenerate…
A hyperbolic system approach is proposed for robust computation of anisotropic diffusion equations that appear in quasineutral plasmas. Though the approach exhibits merits of high extensibility and accurate flux computation, the…
This paper aims at an accurate and efficient computation of effective quantities, e.g., the homogenized coefficients for approximating the solutions to partial differential equations with oscillatory coefficients. Typical multiscale methods…
We analyze the conformational properties of polymer macromolecules in solutions in presence of extended structural obstacles of (fractal) dimension $\varepsilon_d$ causing the anisotropy of environment. Applying the pruned-enriched…