Related papers: ReactionKinetics - A Mathematica package with appl…
We introduce the \prog{Mathematica} package \prog{MT} which can be used to compute, both analytically and numerically, convolutions involving harmonic polylogarithms, polynomials or generalized functions. As applications contributions to…
In the study of rare events in complex systems with many degrees of freedom, a key element is to identify the reaction coordinates of a given process. Over recent years, a number of methods and protocols have been developed to extract the…
The macroscopic behavior of many physical systems can be approximately described by classical quantities. However, quantum theory demands the existence of omnipresent quantum fluctuations on top of this classical background -- which, albeit…
Traditional stochastic modeling of reactive systems limits the domain of applicability of the associated path thermodynamics to systems involving a single elementary reaction at the origin of each observed change in composition. An…
Sphere packings are essential to the development of physical models for powders, composite materials, and the atomic structure of the liquid state. There is a strong scientific need to be able to assess the fit of packing models to data,…
We propose an approach to the semantics of package management which relates it to general event structures, well-known mathematical objects used in the semantics of concurrent, nondeterministic systems. In this approach, the data of a…
Presented in this paper is a derivation of a 2D catalytic reaction-based model to solve combinatorial optimization problems (COPs). The simulated catalytic reactions, a computational metaphor, occurs in an artificial chemical reactor that…
GroupMath is a Mathematica package which performs several calculations related to semi-simple Lie algebras and the permutation groups, both of which are important in particle physics as well as in other areas of research.
The bin-packing problem continues to remain relevant in numerous application areas. This technical report discusses the empirical performance of different bin-packing heuristics for certain test problems.
Biology is data-rich, and it is equally rich in concepts and hypotheses. Part of trying to understand biological processes and systems is therefore to confront our ideas and hypotheses with data using statistical methods to determine the…
Statistical properties of evolving random graphs are analyzed using kinetic theory. Treating the linking process dynamically, structural characteristics such as links, paths, cycles, and components are obtained analytically using the rate…
This document is the manual for a free Mathematica package for computing with harmonic functions. This package allows the user to make calculations that would take a prohibitive amount of time if done without a computer. For example, the…
Throughout all years of study, students of physics are confronted with the question 'what exactly is light?' - a question that is impossible to answer correctly and, therefore, continuously discussed within the framework of models. Numerous…
The replicator equation is ubiquitous for many areas of mathematical biology. One of major shortcomings of this equation is that it does not allow for an explicit spatial structure. Here we review analytical approaches to include spatial…
We introduce FunKit, a Mathematica package for the derivation and tracing of functional equations from arbitrary master equations. FunKit provides an expression vocabulary and a set of rules that allow for derivations in any given field…
We introduce an original approach to geometric calculus in which we define derivatives and integrals on functions which depend on extended bodies in space--that is, paths, surfaces, and volumes etc. Though this theory remains to be fully…
Quantum kinetic theory is an important tool for studying non-equilibrium, non-perturbative and non-linear interactions within an open quantum system, and as such is able to provide an unprecedented view on particle production in the…
RESPACK is a first-principles calculation software for evaluating the interaction parameters of materials and is able to calculate maximally localized Wannier functions, response functions based on the random phase approximation and related…
Pre-college mathematics modeling instruction often frames mathematics as being separated from reasoning about the real world -- and commonly treats reasoning mathematically and reasoning about the real-world context as separate stages of a…
Reactive programs are ubiquitous in modern applications, and so verification is highly desirable. We present a verification strategy for reactive programs with a large or infinite state space utilising algebraic laws for reactive relations.…