Related papers: Kekul\'e Cells for Molecular Computation
Graph states are key resources for measurement-based quantum computing, which is particularly promising for photonic systems. Fusions are probabilistic Bell state measurements, measuring pairs of parity operators of two qubits. Fusions can…
The transport properties of a conduction junction model characterized by two mutually coupled channels that strongly differ in their couplings to the leads are investigated. Models of this type describe molecular redox junctions (where a…
The main purpose of thispaper is to show that composite quantum-like (QL) systems can closely mimic the separable states of quantum systems, and that suitable physical systems exhibiting these states exist. It is shown that QL graphs can…
Partial Boolean algebra underlies the quantum logic as an important tool for quantum contextuality. We propose the notion atom graphs to reveal the graph structure of partial Boolean algebra for finite dimensional quantum systems by proving…
Entanglement has evolved from an enigmatic concept of quantum physics to a key ingredient of quantum technology. It explains correlations between measurement outcomes that contradict classical physics, and has been widely explored with…
In the field of molecular electronics, particularly in quantum transport studies, the orientation of molecules plays a crucial role. This orientation, with respect to the electrodes, can be defined through the cavity of ring-shaped…
A brief introduction of the technical approach to model FTUs as an aggregate of cells, whose state transition dynamics are mathematically represented as port-hamiltonians or Differential Algebraic equations is presented. A python library…
Kekul\'e-O order in graphene, which has recently been realized experimentally, induces Dirac electron masses on the order of $m \sim 100 \text{meV}$. We show that twisted bilayer graphene in which one or both layers have Kekul\'e-O order…
Neural message passing on molecular graphs is one of the most promising methods for predicting formation energy and other properties of molecules and materials. In this work we extend the neural message passing model with an edge update…
The entangled graph states have emerged as an elegant and powerful quantum resource, indeed almost all multiparty protocols can be written in terms of graph states including measurement based quantum computation (MBQC), error correction and…
Many molecular junctions display stochastic telegraphic switching between two distinct current values, which is therefore an important source of fluctuations in nanoscale quantum transport. We investigate electronic fluctuations arising via…
Bond graphs can be used to build thermodynamically-compliant hierarchical models of biomolecular systems. As bond graphs have been widely used to model, analyse and synthesise engineering systems, this paper suggests that they can play the…
Motivated by fundamental problems in chemistry and biology we study cluster graphs arising from a set of initial states $S\subseteq\Z^n_+$ and a set of transitions/reactions $M\subseteq\Z^n_+\times\Z^n_+$. The clusters are formed out of…
Multipartite entangled states are great resources for quantum networks. In this work we study the distribution, or routing, of entangled states over fixed, but arbitrary, physical networks. Our simplified model represents each use of a…
In this work, we investigate a simple nonequilibrium system with many interconnected, open subsystems, each exchanging a globally conserved resource with an external reserve. The system is represented by a random graph, where nodes…
Charge transfer through nanoscale junctions connecting metallic leads with quantum dots or single molecules is often described within an open system formulation in terms of Redfield theory. Under non-equilibrium conditions, the usually…
We propose a combination of a variational autoencoder and a transformer based model which fully utilises graph convolutional and graph pooling layers to operate directly on graphs. The transformer model implements a novel node encoding…
Given a graph $G$, the Bell $k$-coloring graph $\mathcal{B}_k(G)$ has vertices given by partitions of $V(G)$ into $k$ independent sets (allowing empty parts), with two partitions adjacent if they differ only in the placement of a single…
Distinguishing sets of quantum states shared by two parties using only local operations and classical communication measurements is a fundamental topic in quantum communication and quantum information theory. We introduce a graph-theoretic…
We generalize the theory of k-core percolation on complex networks to k-core percolation on multiplex networks, where k=(k_a, k_b, ...). Multiplex networks can be defined as networks with a set of vertices but different types of edges, a,…