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We extend a previously introduced semi-analytical representation of a decomposition of CA dynamics in arbitrary dimensions and neighborhood schemes via the use of certain universal maps in which CA rule vectors are derivable from the…
Markov chain Monte Carlo (MCMC) methods provide powerful framework for sampling unknown probability measures across a wide range of scientific applications. In some settings, the target distribution is supported on a lower-dimensional…
The rapid growth of Internet paths in heterogeneity, scale, and dynamics has made existing emulators increasingly insufficient in flexibility, scalability, and usability. To address these limitations, we present Rattan, an extensible and…
The complex transverse water proton magnetization subject to diffusion-encoding magnetic field gradient pulses in a heterogeneous medium can be modeled by the multiple compartment Bloch-Torrey partial differential equation (BTPDE). A…
Granular materials are very common in the everyday world. Media such as sand, soil, gravel, food stuffs, pharmaceuticals, etc. all have similar irregular flow since they are composed of numerous small solid particles. In video games,…
In this paper I describe a cellular automaton model of a multi-species ecosystem, suitable for the study of emergent properties of macroevolution. Unlike majority of ecological models, the number of coexisting species is not fixed. Starting…
A family of multi-value cellular automaton (CA) associated with traffic flow is presented in this paper. The family is obtained by extending the rule-184 CA, which is an ultradiscrete analogue to the Burgers equation. CA models in the…
Segregation of different cell types is a crucial process for the pattern formation in tissues, in particular during embryogenesis. Since the involved cell interactions are complex and difficult to measure individually in experiments,…
The lifting effect of an effervescent tablet in the water is ideal for educational purposes, because it combines various mathematical and physical principles. We developed a mathematical toy model for the time evolution of the buoyancy and…
Mathematical modeling and real-time dynamics identification of the mean arterial blood pressure (MAP) response of a patient to vasoactive drug infusion can provide a reliable tool for automated drug administration and therefore, reduce the…
We explore some aspects of phase transitions in cellular automata. We start recalling the standard formulation of statistical mechanics of discrete systems (Ising model), illustrating the Monte Carlo approach as Markov chains and stochastic…
Experiments of cell migration and chemotaxis assays have been classically performed in the so-called Boyden Chambers. A recent technology, xCELLigence Real Time Cell Analysis, is now allowing to monitor the cell migration in real time. This…
Up to now, it is not possible to obtain analytical solutions for complex molecular association processes (e.g. Molecule recognition in Signaling or catalysis). Instead Brownian Dynamics (BD) simulations are commonly used to estimate the…
In this study, polyurethane-films loaded diclofenac were used to analyze the drug release kinetics and mechanisms. For this purpose, the experimental procedures were developed under static and dynamic conditions with different initial drug…
The MAterials Simulation Toolkit (MAST) is a workflow manager and post-processing tool for ab initio defect and diffusion workflows. MAST codifies research knowledge and best practices for such workflows, and allows for the generation and…
We show that the mass matrix derived from finite elements can be effectively used as a preconditioner for iteratively solving the linear system arising from finite-difference discretization of the Poisson equation, using the conjugate…
Electroporation method is a useful tool for delivering drugs into various diseased tissues in the human body. As a result of an applied electric field, drug particles enter the intracellular compartment through the temporarily permeabilized…
We present applications of a cellular automaton approach to pedestrian dynamics introduced in [1,2]. It is shown that the model is able to reproduce collective effects and self-organization phenomena encountered in pedestrian traffic, e.g.…
We illustrate an application of Algorithmic Information Dynamics to Cellular Automata (CA) demonstrating how this digital calculus is able to quantify change in discrete dynamical systems. We demonstrate the sensitivity of the Block…
Identifying potential drug targets using metabolic modeling requires integrating multiple modeling methods and heterogenous biological datasets, which can be challenging without sophisticated tools. We developed COMO, a user-friendly…