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Quasicentroid molecular dynamics (QCMD) is a path-integral method for approximating nuclear quantum effects in dynamics simulations, which has given promising results for gas- and condensed-phase water. Here, by simulating the infrared…

Chemical Physics · Physics 2021-11-29 Christopher Haggard , Vijay Ganesh Sadhasivam , George Trenins , Stuart C. Althorpe

Mathematical analysis of mass action models of large complex chemical systems is typically only possible if the models are reduced. The most common reduction technique is based on quasi-steady state assumptions. To increase the accuracy of…

Dynamical Systems · Mathematics 2014-11-04 Tomáš Vejchodský , Radek Erban , Philip K. Maini

An iterative scheme for the Dynamical Systems Method (DSM) is given such that one does not have to solve the Cauchy problem occuring in the application of the DSM for solving ill-conditioned linear algebraic systems. The novelty of the…

Numerical Analysis · Mathematics 2008-03-25 N. S. Hoang , A. G. Ramm

Embedding efficient command operation into biochemical system has always been a research focus in synthetic biology. One of the key problems is how to sequence the chemical reactions that act as units of computation. The answer is to design…

Dynamical Systems · Mathematics 2022-09-08 Xiaopeng Shi , Chuanhou Gao

We present an algebraic procedure for constructing Hamiltonians with several distinct partial dynamical symmetries (PDSs), of relevance to shape-coexistence phenomena. The procedure relies on a spectrum generating algebra encompassing…

Nuclear Theory · Physics 2018-09-11 A Leviatan , N Gavrielov

A central theme in Iachello's quest for understanding simple ordered patterns in complex quantum systems, is the concept of dynamical symmetry. Relying on his seminal contributions, we present further generalization of this notion to that…

Nuclear Theory · Physics 2019-09-10 A. Leviatan

One of the most challenging and recurring problems when modelling plasmas is the lack of data on key atomic and molecular reactions that drive plasma processes. Even when there are data for some reactions, complete and validated datasets of…

Reaction systems are discrete dynamical systems inspired by bio-chemical processes, whose dynamical behaviour is expressed by set-theoretic operations on finite sets. Reaction systems thus provide a description of bio-chemical phenomena…

Formal Languages and Automata Theory · Computer Science 2020-08-05 Alberto Dennunzio , Enrico Formenti , Luca Manzoni , Antonio E. Porreca

Dynamical Systems (DS) are an effective and powerful means of shaping high-level policies for robotics control. They provide robust and reactive control while ensuring the stability of the driving vector field. The increasing complexity of…

Robotics · Computer Science 2024-03-19 Bernardo Fichera , Aude Billard

The ability to describe strongly interacting matter at finite temperature and baryon density provides the means to determine, for instance, the equation of state of QCD at non-zero baryon chemical potential. From a theoretical point of…

High Energy Physics - Lattice · Physics 2019-01-30 Felipe Attanasio , Benjamin Jäger

Dynamic Causal Modeling (DCM) is a Bayesian framework for inferring on hidden (latent) neuronal states, based on measurements of brain activity. Since its introduction in 2003 for functional magnetic resonance imaging data, DCM has been…

Quantitative Methods · Quantitative Biology 2021-04-08 Inês Pereira , Stefan Frässle , Jakob Heinzle , Dario Schöbi , Cao Tri Do , Moritz Gruber , Klaas E. Stephan

Divisibility of dynamical maps is visualized by trajectories in the parameter space and analyzed within the framework of collision models. We introduce ultimate completely positive (CP) divisible processes, which lose CP divisibility under…

Quantum Physics · Physics 2017-09-20 S. N. Filippov , J. Piilo , S. Maniscalco , M. Ziman

We show that partial dynamical symmetries (PDS) can occur at critical-points of quantum phase transitions, in which case, underlying competing symmetries are conserved exactly by a subset of states, and mix strongly in other states. Several…

Nuclear Theory · Physics 2008-11-26 A. Leviatan

We generalize the notion of partial dynamical symmetry (PDS) to a system of interacting bosons and fermions. In a PDS, selected states of the Hamiltonian are solvable and preserve the symmetry exactly, while other states are mixed. As a…

Nuclear Theory · Physics 2015-07-08 P. Van Isacker , J. Jolie , T. Thomas , A. Leviatan

Structural Causal Models (SCMs) provide a popular causal modeling framework. In this work, we show that SCMs are not flexible enough to give a complete causal representation of dynamical systems at equilibrium. Instead, we propose a…

Artificial Intelligence · Computer Science 2019-08-07 Tineke Blom , Stephan Bongers , Joris M. Mooij

Various biological system models have been proposed in systems biology, which are based on the complex biological reactions kinetic of various components. These models are not practical because we lack of kinetic information. In this paper,…

Quantitative Methods · Quantitative Biology 2011-02-19 Weidong Huang , Chundu Wu , Bingjia Xiao , Weidong Xia

The Quasi Steady-State (QSS) model of long-term dynamics relies on the idea of time-scale decomposition. Assuming that the fast variables are infinitely fast and are stable in the long-term, the QSS model replaces the differential equations…

Systems and Control · Computer Science 2013-10-02 Xiaozhe Wang , Hsiao-Dong Chiang

We study the computational complexity of decomposing finite discrete dynamical systems (FDDSs) in terms of the semiring operations of alternative and synchronous execution, which is useful for the analysis of discrete phenomena in science…

Discrete Mathematics · Computer Science 2026-04-10 Antonio E. Porreca , Marius Rolland

Boolean automata networks, genetic regulation networks, and metabolic networks are just a few examples of biological modelling by discrete dynamical systems (DDS). A major issue in modelling is the verification of the model against the…

Dynamical Systems · Mathematics 2019-11-26 Alberto Dennunzio , Enrico Formenti , Luciano Margara , Valentin Montmirail , Sara Riva

Chemical systems are traditionally described by lists of species, reactions, and externally imposed kinetic laws, a framework that lacks an intrinsic algebraic structure governing how transformations compose. We propose an axiomatic…