Related papers: The framework for simulation of dynamics of mechan…
The suggested approach makes it possible to produce a consistent description of motions of a physical system. It is shown that the concept of force fields defining the systems dynamics is equivalent to the choice of the corresponding metric…
Simulations, although powerful in accurately replicating real-world systems, often remain inaccessible to non-technical users due to their complexity. Conversely, large language models (LLMs) provide intuitive, language-based interactions…
We study the Parallel Replica Dynamics in a general setting. We introduce a trajectory fragment framework that can be used to design and prove consistency of Parallel Replica algorithms for generic Markov processes. We use our framework to…
We survey an area of recent development, relating dynamics to theoretical computer science. We discuss the theoretical limits of simulation and computation of interesting quantities in dynamical systems. We will focus on central objects of…
A computer simulation has to be fast to be helpful, if it is employed to study the behavior of a multicomponent dynamic system. This paper discusses modeling concepts and algorithmic techniques useful for creating such fast simulations.…
Simple constructions and protocols are demonstrated to allow the implementation of universal quantum computation on an arbitrarily large quantum system by controlling a fixed number of spins, vastly reducing the engineering requirements in…
We present a "multipatch" infrastructure for numerical simulation of fluid problems in which sub-regions require different gridscales, different grid geometries, different physical equations, or different reference frames. Its key element…
Assembly systems constitute one of the most important fields in today industry. In this paper we propose an open distributed architecture for the engineering of evolvable flexible hybrid assembly systems. The proposed architecture is based…
A theorem of Laman gives a combinatorial characterisation of the graphs that admit a realisation as a minimally rigid generic bar-joint framework in $\bR^2$. A more general theory is developed for frameworks in $\bR^3$ whose vertices are…
We propose a general statistical mechanics framework for the collective motion of animals. The framework considers the principle of maximum entropy, the interaction, boundary, and desire effects, as well as the time-delay effect. These…
We introduce a general-purpose framework for interconnecting scientific simulation programs using a homogeneous, unified software interface. Our framework is intrinsically parallel, and conveniently separates all components in memory. It…
The task of modelling and forecasting a dynamical system is one of the oldest problems, and it remains challenging. Broadly, this task has two subtasks - extracting the full dynamical information from a partial observation; and then…
Recent advances in both theory and computational power have created opportunities to simulate biomolecular processes more efficiently using adaptive ensemble simulations. Ensemble simulations are now widely used to compute a number of…
A thermodynamic formulation of jammed matter is reviewed. Experiments and simulations of compressed emulsions and granular materials are then used to provide a foundation for the thermodynamics.
Metal-organic frameworks (MOFs) offer a vast design space, and as such, computational simulations play a critical role in predicting their structural and physicochemical properties. However, MOF simulations remain difficult to access…
An early-stage version of simulation package is developed for electronic structure calculation and dynamics of atom process in large-scale systems, particularly, nm-scale or 10nm-scale systems. We adopted the Extensible Markup Language…
An integrated computational framework is introduced to study complex engineering systems through physics-based ensemble simulations on heterogeneous supercomputers. The framework is primarily designed for the quantitative assessment of…
Entropic Dynamics is a framework in which dynamical laws such as those that arise in physics are derived as an application of entropic methods of inference. No underlying action principle is postulated. Instead, the dynamics is driven by…
A large number of powerful, high-quality, and open-source simulation packages exist to efficiently perform molecular dynamics simulations, and their prevalence has greatly accelerated discoveries across a wide range of scientific domains.…
This paper explores the connection between dynamical system properties and statistical physics of ensembles of such systems. Simple models are used to give novel phase transitions; particularly for finite N particle systems with many…