https://github.com/champsproject/chem_react_dyn

Book on Chemical Reactions and Dynamical Systems

https://github.com/champsproject/chem_react_dyn

Science Score: 36.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • CITATION.cff file
  • codemeta.json file
    Found codemeta.json file
  • .zenodo.json file
  • DOI references
    Found 3 DOI reference(s) in README
  • Academic publication links
    Links to: zenodo.org
  • Academic email domains
  • Institutional organization owner
  • JOSS paper metadata
  • Scientific vocabulary similarity
    Low similarity (9.6%) to scientific vocabulary

Keywords

chemical-reactions dynamical-systems phase-space-transport transition-state-theory
Last synced: 6 months ago · JSON representation

Repository

Book on Chemical Reactions and Dynamical Systems

Basic Info
Statistics
  • Stars: 13
  • Watchers: 5
  • Forks: 3
  • Open Issues: 22
  • Releases: 0
Topics
chemical-reactions dynamical-systems phase-space-transport transition-state-theory
Created about 6 years ago · Last pushed almost 3 years ago
Metadata Files
Readme Contributing Code of conduct

README.Rmd

[![Netlify Status](https://api.netlify.com/api/v1/badges/fa9243f0-0a10-408a-8cdc-284bb6271f40/deploy-status)](https://app.netlify.com/sites/youthful-bell-134f82/deploys) [![Gitter](https://badges.gitter.im/chem_react_dyn/community.svg)](https://gitter.im/chem_react_dyn/community?utm_source=badge&utm_medium=badge&utm_campaign=pr-badge) [![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/champsproject/chem_react_dyn/release) [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.3568210.svg)](https://doi.org/10.5281/zenodo.3568210)

# Chemical Reactions: A Journey into Phase Space

**Authors**

Makrina Agaoglou, Broncio Aguilar-Sanjuan, Victor Jose Garca-Garrido, Rafael Garca-Meseguer, Francisco Gonzlez-Montoya, Matthaios Katsanikas, Vladimr Krajk, Shibabrat Naik, Stephen Wiggins


Welcome to the GitHub repository! 

## What this book is about?

Chemistry is concerned with the transformation of matter. In more detail, it is concerned with the breaking, formation, and rearrangement of bonds in molecules. Fundamentally, these descriptions highlight changes in time. Mathematically, the study of systems changing in time is the subject of dynamical systems theory.  This book represents an account of our research groups efforts to date in bringing the mathematical framework of dynamical systems theory to bear on chemical reaction dynamics. 

## Why did we write this book?

Researchers are increasingly finding that the conventional model describing chemical reactions are qualitatively and quantitatively inadequate for understanding and exploiting the emerging dynamical view of chemical transformation. Historically (that is, beginning with Newton) dynamics has been an area of research that has proven to be fertile ground for the development of numerous areas of seemingly disparate fields of mathematics (e.g. topology, number theory, and Fourier analysis). We hope the same can happen by working on problems at the intersection of chemical reactions and dynamics.

## Goal and vision

Our vision and ambition for this book is to highlight the power and insight that dynamical mathematics can bring to the study of chemical reaction dynamics.  It is our hope that this book will encourage both mathematicians and chemists to further develop collaborative efforts  using the framework of applied and computational dynamical systems theory. An advantage of this open source project is that it provides an opportunity for a world wide scientific dialogue on this interdisciplinary topic. We warmly invite other researchers to join us in the further development of this topic and to participate in this way.



## Contributing

Guidelines on how to contribute to this package can be found  [here](https://github.com/champsproject/chem_react_dyn/blob/docs/docs/contributing.md) along with the code of conduct [here](https://github.com/champsproject/chem_react_dyn/blob/docs/docs/CODE_OF_CONDUCT.md) for engaging with the fellow contributors.


## Copyright and License
Copyright 2019

All content is under Creative Commons Attribution [CC-BY 4.0](https://creativecommons.org/licenses/by/4.0/legalcode.txt) and all the python scripts are under [BSD-3 clause](https://github.com/champsproject/chem_react_dyn/blob/docs/docs/LICENSE).

## References




Owner

  • Name: CHAMPS Project
  • Login: champsproject
  • Kind: organization
  • Email: S.Wiggins@bristol.ac.uk
  • Location: Bristol, UK

Chemistry and Mathematics in Phase Space

GitHub Events

Total
  • Watch event: 1
Last Year
  • Watch event: 1

Dependencies

Gemfile rubygems
  • github-pages >= 0 development
  • jekyll-feed ~> 0.6 development
  • jekyll-redirect-from >= 0 development
  • jekyll-scholar >= 0 development
  • guard ~> 2.14.2
  • guard-jekyll-plus ~> 2.0.2
  • guard-livereload ~> 2.5.2
  • tzinfo-data >= 0
Gemfile.lock rubygems
  • 106 dependencies