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Quantum computers have the potential to simulate chemical systems beyond the capability of classical computers. Recent developments in hybrid quantum-classical approaches enable the determinations of the ground or low energy states of…

Quantum Physics · Physics 2021-12-06 Chee-Kong Lee , Jonathan Wei Zhong Lau , Liang Shi , Leong Chuan Kwek

The theory of chemical kinetics form the basis to describe the dynamics of chemical systems. Owing to physical and thermodynamic constraints, chemical reaction systems possess various structures, which can be utilized to characterize…

Biological Physics · Physics 2022-01-03 Tetsuya J. Kobayashi , Dimitri Loutchko , Atsushi Kamimura , Yuki Sughiyama

Embedding sequential computations in biochemical environments is challenging because the computations are carried out by chemical reactions, which are inherently disordered. In this paper we apply modular design to specific calculations…

Molecular Networks · Quantitative Biology 2024-01-05 Xiaopeng Shi , Chuanhou Gao , Denis Dochain

Very often, models in biology, chemistry, physics, and engineering are systems of polynomial or power-law ordinary differential equations, arising from a reaction network. Such dynamical systems can be generated by many different reaction…

Dynamical Systems · Mathematics 2020-01-01 Gheorghe Craciun , Jiaxin Jin , Polly Y. Yu

A new quantum mechanical notion -- Conditional Density Matrix -- is discussed and is applied to describe some physical processes. This notion is a natural generalization of von Neumann density matrix for such processes as divisions of…

Quantum Physics · Physics 2007-05-23 V. V. Belokurov , O. A. Khrustalev , V. A. Sadovnichy , O. D. Timofeevskaya

Semiclassical approximations for quantum dynamic simulations in complex chemical systems range from rigorously accurate methods that are computationally expensive to methods that exhibit near-classical scaling with system size but are…

Chemical Physics · Physics 2022-09-09 Shreyas Malpathak , Matthew S. Church , Nandini Ananth

Modeling the dynamics of a quantum system connected to the environment is critical for advancing our understanding of complex quantum processes, as most quantum processes in nature are affected by an environment. Modeling a macroscopic…

We propose a combination of cluster analysis and stochastic process analysis to characterize high-dimensional complex dynamical systems by few dominating variables. As an example, stock market data are analyzed for which the dynamical…

Statistical Finance · Quantitative Finance 2015-03-10 Philip Rinn , Yuriy Stepanov , Joachim Peinke , Thomas Guhr , Rudi Schäfer

For settling the problem with rotating turbulence modelling, a quasi-dynamic one-equation subgrid-scale (SGS) model is proposed in this paper. Considering the key role of the joint cascade of kinetic energy and helicity in rotating…

Fluid Dynamics · Physics 2024-01-05 Depei Song , Changping Yu , Zheng Yan , Xinliang Li

All known up to now models of chemical oscillations are based exclusively on kinetic considerations. The chemical gross-process equation is split usually by elementary steps, each step is supplied by an arrow and a differential equation,…

Chemical Physics · Physics 2010-08-09 B. Zilbergleyt

Cyber Physical Systems (CPS) enable new kinds of applications as well as significant improvements of existing ones in numerous different application domains. A major trait of upcoming CPS is an increasing degree of automation up to the…

Software Engineering · Computer Science 2024-05-07 Daniel Schneider , Jan Reich , Rasmus Adler , Peter Liggesmeyer

Mass action systems capture chemical reaction networks in homogeneous and dilute solutions. We suggest a notion of generalized mass action systems that admits arbitrary nonnegative power-law rate functions and serves as a more realistic…

Dynamical Systems · Mathematics 2013-08-15 Stefan Müller , Georg Regensburger

Periodic approximations of quasicrystals are a powerful tool in analyzing spectra of Schr\"odinger operators arising from quasicrystals, given the known theory for periodic crystals. Namely, we seek periodic operators whose spectra…

Dynamical Systems · Mathematics 2024-08-20 Lior Tenenbaum

The molecular energies of chemical systems have been successfully calculated on quantum computers, however, more attention has been paid to the dynamic process of chemical reactions in practical application, especially in catalyst design,…

Quantum Physics · Physics 2023-03-28 Qiankun Gong , Qingmin Man , Ye Li , Menghan Dou , Qingchun Wang , Yu-Chun Wu , Guo-Ping Guo

This article develops a new mathematical method for holistic analysis of nonlinear dynamic compartmental systems through the system decomposition theory. The method is based on the novel dynamic system and subsystem partitioning…

Systems and Control · Electrical Eng. & Systems 2020-11-24 Huseyin Coskun

Simulating chemical systems is highly sought after and computationally challenging, as the number of degrees of freedom increases exponentially with the size of the system. Quantum computers have been proposed as a computational means to…

If $F:H\to H$ is a map in a Hilbert space $H$, $F\in C^2_{loc}$, and there exists $y$, such that $F(y)=0$, $F'(y)\not= 0$, then equation $F(u)=0$ can be solved by a DSM (dynamical systems method). This method yields also a convergent…

Numerical Analysis · Mathematics 2007-05-23 A. G. Ramm

Reversibility, weak reversibility and deficiency, detailed and complex balancing are generally not "encoded" in the kinetic differential equations but they are realization properties that may imply local or even global asymptotic stability…

Molecular Networks · Quantitative Biology 2011-05-11 Gabor Szederkenyi , Katalin M. Hangos

QML-HCS is a research-grade framework for constructing and analyzing quantum-inspired machine learning models operating under hypercausal feedback dynamics. Hypercausal refers to AI systems that leverage extended, deep, or nonlinear causal…

Machine Learning · Computer Science 2025-11-25 Hector E Mozo

This paper attacks time-domain identification for interaction parameters of a heterogeneous networked dynamic system (NDS), with each of its subsystems being described by a continuous-time descriptor quadratic-bilinear time-invariant (QBTI)…

Multiagent Systems · Computer Science 2025-11-11 Tong Zhou , Yubing Li
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