Related papers: Kekul\'e Cells for Molecular Computation
We propose a quantum computation architecture of double-dot molecules, where the qubit is encoded in the molecule two-electron spin states. By arranging the two dots inside each molecule perpendicular to the qubit scaling line, the…
Working with multivariate probability distributions Sklar introduced the notion of copula in 1959, which turned out to be a key concept to understand the structure of distributions of composite systems. Roughly speaking Sklar proved that a…
We study entanglement percolation in qubit-based planar quantum network models of arbitrary topology, where neighboring nodes are initially connected by pure states with quenched disorder in their entanglement. To address this, we develop a…
We introduce the concept of regular quantum graphs and construct connected quantum graphs with discrete symmetries. The method is based on a decomposition of the quantum propagator in terms of permutation matrices which control the way…
A molecular dynamics simulation of SPC/E water confined in a Silica pore is presented. The pore has been constructed to reproduce the average properties of a pore of Vycor glass. Due to the confinement and to the presence of a strong…
Recently, random graphs in which vertices are characterized by hidden variables controlling the establishment of edges between pairs of vertices have attracted much attention. Here, we present a specific realization of a class of random…
Inserting molecular monolayers within metal / semiconductor interfaces provides one of the most powerful expressions of how minute chemical modifications can affect electronic devices. This topic also has direct importance for technology as…
Translation, rotation, and scaling are three commonly used geometric manipulation operations in image processing. Besides, some of them are successfully used in developing effective knowledge graph embedding (KGE) models such as TransE and…
As a variant of the original quantum teleportation, the port-based teleportation has been proposed, and its various kinds of useful applications in quantum information processing have been explored. Two users in the port-based teleportation…
Molecular representation learning is pivotal in predicting molecular properties and advancing drug design. Traditional methodologies, which predominantly rely on homogeneous graph encoding, are limited by their inability to integrate…
We introduce and study a new percolation model, inspired by recent works on jigsaw percolation, graph bootstrap percolation, and percolation in polluted environments. Start with an oriented graph $G_0$ of initially occupied edges on $n$…
QmeQ is an open-source Python package for numerical modeling of transport through quantum dot devices with strong electron-electron interactions using various approximate master equation approaches. The package provides a framework for…
The topological heavy fermion (THF) model of twisted bilayer graphene is a framework for treating its strongly interacting topological flat bands. In this work, we employ the THF model with heterostrain and particle-hole symmetry breaking…
We introduce a cellular automaton model coupled with a transport equation for flows on graphs. The direction of the flow is described by a switching process where the switching probability dynamically changes according to the value of the…
Distributed quantum computing is motivated by the difficulty in building large-scale, individual quantum computers. To solve that problem, a large quantum circuit is partitioned and distributed to small quantum computers for execution.…
We offer a solution to a long-standing problem in the physics of networks, the creation of a plausible, solvable model of a network that displays clustering or transitivity -- the propensity for two neighbors of a network node also to be…
Molecular "fingerprints" encoding structural information are the workhorse of cheminformatics and machine learning in drug discovery applications. However, fingerprint representations necessarily emphasize particular aspects of the…
Transformers are increasingly employed for graph data, demonstrating competitive performance in diverse tasks. To incorporate graph information into these models, it is essential to enhance node and edge features with positional encodings.…
Hypergraph states are multi-qubit states that form a subset of the locally maximally entangleable states and a generalization of the well--established notion of graph states. Mathematically, they can conveniently be described by a…
Cluster states are entangled multipartite states which enable to do universal quantum computation with local measurements only. We show that these states have a very simple interpretation in terms of valence bond solids, which allows to…