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One of the main challenges in diffusion-based molecular communication is dealing with the non-linearity of reaction-diffusion chemical equations. While numerical methods can be used to solve these equations, a change in the input signals or…
The metabolism is the motor behind the biological complexity of an organism. One problem of characterizing its large-scale structure is that it is hard to know what to compare it to. All chemical reaction systems are shaped by the same…
The intermolecular interactions in the title compound are investigated using self-consistent charge density functional based tight binding molecular dynamics. Emphasis is put on the analysis of correlated motions of ion pairs using ideas of…
We present a systematic mathematical analysis of the qualitative steady-state response to rate perturbations in large classes of reaction networks. This includes multimolecular reactions and allows for catalysis, enzymatic reactions,…
We study the mechanisms of pattern formation for vegetation dynamics in water-limited regions. Our analysis is based on a set of two partial differential equations (PDEs) of reaction-diffusion type for the biomass and water and one ordinary…
Chemical kinetics mechanisms are essential for understanding, analyzing, and simulating complex combustion phenomena. In this study, a Neural Ordinary Differential Equation (Neural ODE) framework is employed to optimize kinetics parameters…
In general. automated farming systems make decisions based on static models built from the properties of the plant. in the contrast, irrigation decisions in our suggested method are dynamically changing environmental conditions. the model"s…
Neural Ordinary Differential Equations (NODEs) use a neural network to model the instantaneous rate of change in the state of a system. However, despite their apparent suitability for dynamics-governed time-series, NODEs present a few…
We study the closure problem for continuum balance equations that model mesoscale dynamics of large ODE systems. The underlying microscale model consists of classical Newton equations of particle dynamics. As a mesoscale model we use the…
Complex chemical reaction networks, which underlie many industrial and biological processes, often exhibit non-monotonic changes in chemical species concentrations, typically described using nonlinear models. Such non-monotonic dynamics are…
In this paper, the applicability of the entropy method for the trend towards equilibrium for reaction-diffusion systems arising from first order chemical reaction networks is studied. In particular, we present a suitable entropy structure…
The time evolution of dynamical systems is frequently described by ordinary differential equations (ODEs), which must be solved for given initial conditions. Most standard approaches numerically integrate ODEs producing a single solution…
Distillation process is a complex process of conduction, mass transfer and heat conduction, which is mainly manifested as follows: The mechanism is complex and changeable with uncertainty; the process is multivariate and strong coupling;…
Food web topology and energy flow rates across food web linkages can influence ecosystem properties such as stability. Stability predictions from current models of energy flow are often sensitive to details in their formulation, and their…
Understanding the hydration and diffusion of ions in water at the molecular level is a topic of widespread importance. The ammonium ion (NH$_4^+$) is an exemplar system that has received attention for decades because of its complex…
Fluid models are a popular formalism in the quantitative modeling of biochemical systems and analytical performance models. The main idea is to approximate a large-scale Markov chain by a compact set of ordinary differential equations…
A neural ordinary differential equations network (ODE-Net)-enabled reachability method (Neuro-Reachability) is devised for the dynamic verification of networked microgrids (NMs) with unidentified subsystems and heterogeneous uncertainties.…
Inferring unbiased treatment effects has received widespread attention in the machine learning community. In recent years, our community has proposed numerous solutions in standard settings, high-dimensional treatment settings, and even…
Nonlinear model predictive control (NMPC) requires accurate and computationally efficient plant models. Our previous work has shown that the classical compartmentalization model reduction approach for distillation columns can be enhanced by…
Ordinary differential equations (ODEs) provide a powerful framework for modeling dynamic systems arising in a wide range of scientific domains. However, most existing ODE methods focus on a single system, and do not adequately address the…