AISAA | Codes

Detailed description of all the codes written as a part of the project

Initial Network Setup

August 10, 2020
Posted By Sowmya Manojna
Function , Network setup

A graph theory based approach has been used in this study, where the nodes represent the atoms and edges represent the covalent bonds between the atoms. The number of bonds that an atom can form is constrained by the valency of the atom.

Thermodynamic data collection

August 10, 2020
Posted By Sowmya Manojna
Function , Data

All thermodynamic data used in this study was obtained from the RMG web server. The RMG data base is jointly developed by William H. Green’s research group at MIT and Richard H.