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These are lecture notes of a course that I gave to people doing research for their Ph.D. thesis in theoretical chemistry or spectroscopy. The course was given on December 9-13, 2002, in Han-sur-Lesse, Belgium. The lecture notes start with…

Statistical Mechanics · Physics 2007-05-23 A. P. J. Jansen

Learner Performance-based Behavior using Simulated Annealing (LPBSA) is an improvement of the Learner Performance-based Behavior (LPB) algorithm. LPBSA, like LPB, has been proven to deal with single and complex problems. Simulated Annealing…

Neural and Evolutionary Computing · Computer Science 2025-01-30 Dana Rasul Hamad , Tarik A. Rashid

Stochastic reaction network models arise in intracellular chemical reactions, epidemiological models and other population process models, and are a class of continuous time Markov chains which have the nonnegative integer lattice as state…

Numerical Analysis · Mathematics 2024-07-26 Muruhan Rathinam , Mingkai Yu

We present the details of the numerical realization of the recently advanced algorithm developed to identify the fragmentation in heavy ion reactions. This new algorithm is based on the Simulated Annealing method and is dubbed as Simulated…

Nuclear Theory · Physics 2009-10-31 Rajeev K. Puri , Joerg Aichelin

In this paper, a stochastic approximation (SA) based distributed algorithm is proposed to solve the resource allocation (RA) with uncertainties. In this problem, a group of agents cooperatively optimize a separable optimization problem with…

Optimization and Control · Mathematics 2016-11-01 Peng Yi , Jinlong Lei , Yiguang Hong

We investigate the influence of a stochastically fluctuating step-barrier potential on bimolecular reaction rates by exact analytical theory and stochastic simulations. We demonstrate that the system exhibits a new resonant reaction…

Chemical Physics · Physics 2016-03-23 Jakob J. Kolb , Stefano Angioletti-Uberti , Joachim Dzubiella

We take up the challenge of designing realistic computational models of large interacting cell populations. The goal is essentially to bring Gillespie's celebrated stochastic methodology to the level of an interacting population of cells.…

Computational Engineering, Finance, and Science · Computer Science 2018-10-26 Stefan Engblom

We derive equations for the strongly coupled system of light and dense atomic ensembles. The formalism includes an arbitrary internal level structure for the atoms and is not restricted to weak excitation of atoms by light. In the low light…

Atomic Physics · Physics 2016-06-07 Mark D. Lee , Stewart D. Jenkins , Janne Ruostekoski

Reaction-diffusion equations are widely used as the governing evolution equations for modeling many physical, chemical, and biological processes. Here we derive reaction-diffusion equations to model transport with reactions on a…

Statistical Mechanics · Physics 2020-09-16 E. Abad , C. N. Angstmann , B. I. Henry , A. V. McGann , F. Le Vot , S. B. Yuste

Stochastic modeling of gene expression is a classic problem in theoretical biophysics, and the burst approximation is widely used to simplify gene expression models formulated via the chemical master equation. However, the approximation…

Biological Physics · Physics 2026-03-31 Yuntao Lu , Yunxin Zhang

Models defined by stochastic differential equations (SDEs) allow for the representation of random variability in dynamical systems. The relevance of this class of models is growing in many applied research areas and is already a standard…

Methodology · Statistics 2014-08-06 Umberto Picchini

The model of chemical reaction networks is among the oldest and most widely studied and used in natural science. The model describes reactions among abstract chemical species, for instance $A + B \to C$, which indicates that if a molecule…

Data Structures and Algorithms · Computer Science 2026-02-16 Joshua Petrack , David Doty

The bidomain system of degenerate reaction-diffusion equations is a well-established spatial model of electrical activity in cardiac tissue, with "reaction" linked to the cellular action potential and "diffusion" representing current flow…

Analysis of PDEs · Mathematics 2018-03-26 Mostafa Bendahmane , Kenneth H. Karlsen

Bayesian modelling enables us to accommodate complex forms of data and make a comprehensive inference, but the effect of partial misspecification of the model is a concern. One approach in this setting is to modularize the model, and…

Methodology · Statistics 2026-03-18 Yang Liu , Robert J. B. Goudie

We provide an overview of Monte Carlo algorithms based on Markovian stochastic dynamics of interacting and reacting many-particle systems not in thermal equilibrium. These agent-based simulations are an effective way of introducing students…

Statistical Mechanics · Physics 2025-07-24 Mohamed Swailem , Ulrich Dobramysl , Ruslan Mukhamadiarov , Uwe C. Täuber

Spatially-distributed, nonequilibrium chemical systems described by a Markov chain model are considered. The evolution of such systems arises from a combination of local birth-death reactive events and random walks executed by the particles…

chao-dyn · Physics 2009-10-31 Mikhail V. Velikanov , Raymond Kapral

Single-particle traces of the diffusive motion of molecules, cells, or animals are by-now routinely measured, similar to stochastic records of stock prices or weather data. Deciphering the stochastic mechanism behind the recorded dynamics…

Statistical Mechanics · Physics 2023-09-14 Henrik Seckler , Janusz Szwabinski , Ralf Metzler

We consider general multi-species models of reaction diffusion processes and obtain a set of constraints on the rates which give rise to closed systems of equations for correlation functions. Our results are valid in any dimension and on…

Statistical Mechanics · Physics 2009-11-07 Vahid Karimipour

We consider the subdiffusion-reaction process with reactions of a type A+B\arrow B (in which particles A are assumed to be mobile whereas B - static) in comparison to the subdiffusion-reaction process with A\rightarrow B reactions which was…

Statistical Mechanics · Physics 2014-10-01 Tadeusz Kosztolowicz , Katarzyna D. Lewandowska

Spatial stochastic molecular simulations in biology are limited by the intense computation required to track molecules in space either in a discrete time or discrete space framework, meaning that the serial limit has already been reached in…

Quantitative Methods · Quantitative Biology 2016-08-24 I. Hepburn , W. Chen , E. De Schutter