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

A previously proposed computational procedure for constructing a set of nonorthogonal strongly localised one-electron molecular orbitals (O. Danyliv, L. Kantorovich - physics/0401107) is applied to a perfect $\alpha$-quartz crystal…

When flat or on a firm mechanical substrate, the atomic composition and atomistic structure of two-dimensional crystals dictate their chemical, electronic, optical, and mechanical properties. These properties change when the two-dimensional…

This paper collects some characteristic aspects of the general model-building framework of the mechanics of complex bodies, that are bodies in which the material substructure influences prominently the gross behavior through interactions…

Protein folding, peptide aggregation and crystallization, as well as adsorption of molecules on soft or solid substrates have an essential feature in common: In all these processes, structure formation is guided by a collective, cooperative…

We apply a number of atomic decomposition schemes across the standard QM7 dataset -- a small model set of organic molecules at equilibrium geometry -- to inspect the possible emergence of trends among contributions to atomization energies…

A reflexive relation on a set can be a starting point in defining the causal structure of a spacetime in General Relativity and other relativistic theories of gravity. If we identify this relation as the relation between lightlike separated…

We study modular ortholattices in the variety generated by the finite dimensional ones from an equational and geometric point of view. We relate this to coordinatization results.

Aspects of the theory of characteristic modes, based on their variational formulation, are presented and an explicit form of a related functional, involving only currents in a spatial domain, is derived. The new formulation leads to deeper…

The paper deals with combinatorial and stochastic structures of cubical token systems. A cubical token system is an instance of a token system, which in turn is an instance of a transition system. It is shown that some basic results of…

This text is about geometric structures imposed by robust dynamical behaviour. We explain recent results towards the classification of partially hyperbolic systems in dimension 3 using the theory of foliations and its interaction with…

The dynamics of many macromolecular machines is characterized by chemically-mediated structural changes that achieve large scale functional deployment through local rearrangements of constitutive protein sub-units. Motivated by recent high…

In this paper we study the homology and cohomology of confguration spaces of two distinct particles on a graph. Our main tool is intersection theory for cycles in graphs. We obtain an explicit description of the cohomology algebra of the…

In this letter we briefly investigate the mathematical structure of space-time in the framework of discretization. It is shown that the discreteness of space-time may result in a new mechanical system which differ from the usual quantum…

We give a brief introduction to causal fermion systems with a focus on the geometric structures in space-time.

This paper aims to undertake an exploration of the behavior of the moduli space of line arrangements while establishing its combinatorial interplay with the incidence structure of the arrangement. In the first part, we investigate…

Simplified representations of macromolecules help in rationalising and understanding the outcome of atomistic simulations, and serve to the construction of effective, coarse-grained models. The number and distribution of coarse-grained…

The great diversity of the thousands of planets known to date is proof of the multitude of ways in which formation and evolution processes can shape the life of planetary systems. Multiple formation and evolution paths, however, can result…

We prove a general criterion for a metric space to have conformal dimension one. The conditions are stated in terms of the existence of enough local cut points in the space. We then apply this criterion to the boundaries of hyperbolic…

We present a model for describing the general structure of molecular clouds (MCs) at early evolutionary stages in terms of their mass-size relationship. Sizes are defined through threshold levels at which equipartitions between…

Conformally compactified phase space is conceived as an automorphism space for the global action of the extended conformal group. Space time and momentum space appear then as conformally dual, that is conjugate with respect to conformal…