Save the date: 8th to 11th June 2021 – ChemTraYzer Workshop Automatic generation of Chemical Models

01/06/2021
  virtual course on methods for automatic generation of chemical models Copyright: © Institute of Technical Thermodynamics, RWTH Aachen University

The virtual course on automatic generation of chemical models will take place from 8th to 11th June 2021 starting from 8:30 a.m.
Chemical models today support combustion and atmospheric chemistry research. In future, the presented methods are extended to reactive systems in liquid and solid phase to cover e.g. catalysis. An overview is given by Prof. Leonhard in this video.

Participants will learn what chemical models are used for, what tools aid in their development, and how the ChemTraYzer software assists you in this.
Participation is free but registration is mandatory in RWTHmoodle or via e-mail to .

The tentative schedule:
Tue, June 8th, 8:30-12:30: Motivation, Approaches to automatic generation of chemical models and rate coefficients in the literature including their strengths and weaknesses.
Wed, June 9th, 8:30-12:30: Basic Concept of ChemTraYzer, our tool for automatic analysis from molecular dynamics simulations & tutorial: ChemTraYzer basics
Thu, June 10th, 8:30-11:00: Lecture & tutorial: Acceleration techniques in ChemTraYzer
Fri., June 11th, 8:30-12:30: Recent development of ChemTraYzer and unsolved research challenges & tutorial: Recently added features in ChemTraYzer