相关论文: Kekul\'e Cells for Molecular Computation

In contrast to silicon-based transistors, single molecule junctions can be gated by simple mechanical means. Specifically, charge can be transferred between the junction's electrodes and its molecular bridge when the interelectrode distance…

In this thesis we develop a full characterization of abelian quantum statistics on graphs. We explain how the number of anyon phases is related to connectivity. For 2-connected graphs the independence of quantum statistics with respect to…

We study the electronic band structure and optical response of a hybrid model, a $\alpha-\mathcal{T}_3$ model featuring a $\sqrt{3}\times\sqrt{3}$ Kekul\'e pattern modulation. Such a hybrid system may result from the depositing of adatoms…

To maintain homeostasis, living cells process information with networks of interacting molecules. Traditional models for cellular information processing have focused on networks of chemical reactions between molecules. Here, we describe how…

Percolation theory allows simple description of the phase transition based on the scaling properties of the network clusters with respect to a single parameter - site or bond occupation probability. How to design a network exhibiting the…

Deep learning is changing many areas in molecular physics, and it has shown great potential to deliver new solutions to challenging molecular modeling problems. Along with this trend arises the increasing demand of expressive and versatile…

Topological drawings are natural representations of graphs in the plane, where vertices are represented by points, and edges by curves connecting the points. Topological drawings of complete graphs and of complete bipartite graphs have been…

The `random intersection graph with communities' models networks with communities, assuming an underlying bipartite structure of groups and individuals. Each group has its own internal structure described by a (small) graph, while groups…

Percolation in complex networks is viewed as both: a process that mimics network degradation and a tool that reveals peculiarities of the underlying network structure. During the course of percolation, networks undergo non-trivial…

We view molecular optimization as a graph-to-graph translation problem. The goal is to learn to map from one molecular graph to another with better properties based on an available corpus of paired molecules. Since molecules can be…

This paper is mainly a semi-tutorial introduction to elementary algebraic topology and its applications to Ising-type models of statistical physics, using graphical models of linear and group codes. It contains new material on systematic…

We introduce a class of multiqubit quantum states which generalizes graph states. These states correspond to an underlying mathematical hypergraph, i.e. a graph where edges connecting more than two vertices are considered. We derive a…

Hypergraphs are higher-order networks that capture the interactions between two or more nodes. Hypergraphs can always be represented by factor graphs, i.e. bipartite networks between nodes and factor nodes (representing groups of nodes).…

Redox molecular junctions are molecular conduction junctions that involve more than one oxidation state of the molecular bridge. This property is derived from the ability of the molecule to transiently localize transmitting electrons,…

Several cellular activities, such as directed cell migration, are coordinated by an intricate network of biochemical reactions which lead to a polarised state of the cell, in which cellular symmetry is broken, causing the cell to have a…

We study a family of closed quantum graphs described by one singular vertex of order n=4. By suitable choice of the parameters specifying the singular vertex, we can construct a closed sequence of paths in the parameter space that…

Electron transfer processes at molecule-semiconductor interfaces involve a complex mixture of thermionic, tunneling and hopping events. Traditionally these processes have been modeled in a piece-meal fashion, relying on phenomenological…

Molecular graphs generally contain subgraphs (known as groups) that are identifiable and significant in composition, functionality, geometry, etc. Flat latent representations (node embeddings or graph embeddings) fail to represent, and…

Topological phases exhibit a plethora of striking phenomena including disorder-robust localization and propagation of waves of various nature. Of special interest are the transitions between the different topological phases which are…

We consider a heterogeneous network of quantum computing modules, sparsely connected via Bell states. Operations across these connections constitute a computational bottleneck and they are likely to add more noise to the computation than…