相关论文: Cayley Graphs of Semigroups Applied to Atom Tracki…

Random walk algorithms are crucial for sampling and approximation problems in statistical physics and theoretical computer science. The mixing property is necessary for Markov chains to approach stationary distributions and is facilitated…

The Atomic Cluster Expansion provides local, complete basis functions that enable efficient parametrization of many-atom interactions. We extend the Atomic Cluster Expansion to incorporate graph basis functions. This naturally leads to…

Motivated by a recent prediction to engineer the dispersion relation of a waveguide constructed from atomic components [arXiv:2104.08121], we explore the possibility to create directional transport in an open, collective quantum system. The…

Interactions between cold ions and atoms have been proposed for use in implementing quantum gates\cite{Idziaszek2007}, probing quantum gases\cite{Sherkunov2009}, observing novel charge-transport dynamics\cite{Cote2000}, and sympathetically…

Electrochemical systems are important for a sustainable and defossilized energy system of the future. While accurate and precise, the corresponding electrochemical measurements, in which many reactions may occur simultaneously, often do not…

Accurately detecting and tracking multi-objects is important for safety-critical applications such as autonomous navigation. However, it remains challenging to provide guarantees on the performance of state-of-the-art techniques based on…

Predicting monomer reactivity ratios is crucial for controlling monomer sequence distribution in copolymers and their properties. Traditional experimental methods of determining reactivity ratios are time-consuming and resource-intensive,…

Early detection of energy losses, theft, and operational inefficiencies remains a critical challenge in oil and gas production systems due to complex interdependencies among wells and facilities, evolving operating conditions, and limited…

Nowadays, the coupling of electronic structure and machine learning techniques serves as a powerful tool to predict chemical and physical properties of a broad range of systems. With the aim of improving the accuracy of predictions, a large…

Simulation-guided design represents a fundamental contribution towards the development of modern semiconductor devices aiming to reach high-performance particle detection, identification and tracking, and constitutes a strategic element of…

Chemical reaction mechanisms are the foundation of how chemists evaluate reactivity and feasibility, yet current Computer-Assisted Synthesis Planning (CASP) systems operate without this mechanistic reasoning. We introduce a computational…

The dynamics of a cascaded system that consists of two atom-cavity subsystems is studied by using the quantum trajectory method. Considering the two atom-cavity subsystems driven by a Raman interaction, analytical solutions are obtained.…

Here we focus on the challenge of verifying the correctness of molecular implementations of abstract chemical reaction networks, where operation in a well-mixed "soup" of molecules is stochastic, asynchronous, concurrent, and often involves…

We study those automatic sequences which are produced by an automaton whose underlying graph is the Cayley graph of a finite group. For $2$-automatic sequences, we find a characterization in terms of what we call homogeneity, and among…

We lay the foundation for a quantum algorithmic framework to analyse fixed-structure chemical reaction networks (CRNs) using quantum random walks (QRWs) via electrical circuit theory. We model perturbations to CRNs, such as, species…

Accurate structural analysis is essential to gain physical knowledge and understanding of atomic-scale processes in materials from atomistic simulations. However, traditional analysis methods often reach their limits when applied to…

Many applications, ranging from natural to social sciences, rely on graphlet analysis for the intuitive and meaningful characterization of networks employing micro-level structures as building blocks. However, it has not been thoroughly…

In this study, a versatile methodology for initiating polymerization from monomers in highly cross-linked materials is investigated. As polymerization progresses, force-field parameters undergo continuous modification due to the formation…

Tracking cells in time-lapse videos is an essential technique for monitoring cell population dynamics at a single-cell level. Current methods for cell tracking are developed on videos with mostly single, constant signals and do not detect…

Continuous-time Markov chains are frequently used as stochastic models for chemical reaction networks, especially in the growing field of systems biology. A fundamental problem for these Stochastic Chemical Reaction Networks (SCRNs) is to…