Molecular Dynamic Simulations

 

Molecular Dynamic Simulations of Hydrocarbon Mixtures

and Ionic Liquids with GROMACS

 

Instructor:

Dr. Hugo Marcelo Flores Ruíz: hugo.flores@academicos.udg.mx

 

Main Goal:

The aim of this course is to introduce some basic concepts aroun d molecular dynamic simulations by means of making an example, in this case, the mixture of Hydrocarbons and Ionic Liquids.

 

Previous Software requirements:

 

Other requirements:

  • Basic knowledge of shell commands

  • One or two persons by laptop