相关论文: A central partition of molecular conformational sp…

This thesis proposes a framework based on a notion of combinatorial cell complex (cc) whose cells are defined simply as finite sets of vertices. The cells of a cc are subject to four axioms involving a rank function that assigns a rank (or…

Hard disks systems are often considered as prototypes for simple fluids. In a statistical mechanics context, the hard disk configuration space is generally quotiented by the action of various symmetry groups. The changes in the topological…

I investigate a class of dynamical systems in which finite pieces of spacetime contain finite amounts of information. Most of the guiding principles for designing these systems are drawn from general relativity: the systems are…

In this paper the concept of a partial cone metric space is investigated, some continuity type theorems, and fixed point theorems of contractive mappings in this generalized setting are proved as well as some theorems related to topological…

We present a new theory for partitioning simulations of periodic and solid-state systems into physically sound atomic contributions at the level of Kohn-Sham density functional theory. Our theory is based on spatially localized linear…

We construct and study the space C(\R^d,n) of all partitions of \R^d into n non-empty open convex regions (n-partitions). A representation on the upper hemisphere of an n-sphere is used to obtain a metric and thus a topology on this space.…

Let $\Gamma_g$ be the fundamental group of a closed connected orientable surface of genus $g\geq2$. We introduce a combinatorial structure of "core surfaces", that represent subgroups of $\Gamma_g$. These structures are (usually)…

In this introductory review, we give an overview of the computational chemistry methods commonly used in the field of metal-organic frameworks (MOFs), to describe or predict the structures themselves and characterize their various…

General definitions for causal structures on manifolds of dimension d+1>2 are presented for the topological category and for any differentiable one. Locally, these are given as cone structures via local (pointwise) homeomorphic or…

Communicating cells can coordinate their gene expressions to form spatial patterns. 'Secrete-and-sense cells' secrete and sense the same molecule to do so and are ubiquitous. Here we address why and how these cells, from disordered…

In this review, we discuss modularity and hierarchy in biological systems. We review examples from protein structure, genetics, and biological networks of modular partitioning of the geometry of biological space. We review theories to…

Playing off against each other the real and complex structures, we elucidate the local structure of certain representation spaces in the world of Poisson geometry. Particular cases of these spaces arise as moduli spaces of semistable…

The spatial structure of the cell is highly organized at all levels: from small complexes and assemblies, to local nano- and micro-clusters, to global, micrometer scales across and between cells. We suggest that this multiscale spatial cell…

This study explores the age-old quest to construct a geometric model of a quantum particle. While static classical particle models have largely been dismissed, the focus has now shifted to intricate dynamic models that hold the promise of…

It is shown that if a space-time has non-compact Cauchy surface, then its topological, differentiable, and causal structure are completely determined by a class of compact subsets of its Cauchy surface. Since causal structure determines its…

A generic method for combinatorial constructions of intrinsic geometrical spaces is presented. It is based on the well known inverse sequences of finite graphs that determine (in the limit) topological spaces. If a pattern of the…

A connection between moduli spaces of algebro-geometric objects and moduli spaces of polyhedral objects has been under investigation in recent years. Loosely speaking, the skeleton of an algebro-geometric moduli space is expressed as the…

We study the moduli space of euclidean structures with cone points on a surface, and describe a decomposition into cells each of which corresponds to a given combinatorial type of Delaunay tessellation. We use some of the ideas to study…

Determining the different conformational states of a protein and the transition paths between them is key to fully understanding the relationship between biomolecular structure and function. This can be accomplished by sampling protein…

Using a simple picture of the constituent quark as a composite system of point-like partons, we construct the polarized parton distributions by a convolution between constituent quark momentum distributions and constituent quark structure…